2,2′-dithiodibenzoic acid
2,2′-dithiodibenzoic acid structure
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Common Name | 2,2′-dithiodibenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 119-80-2 | Molecular Weight | 306.357 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 493.1±30.0 °C at 760 mmHg | |
| Molecular Formula | C14H10O4S2 | Melting Point | 287-290 °C(lit.) | |
| MSDS | USA | Flash Point | 252.0±24.6 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,2-Dithiosalicylic Acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 493.1±30.0 °C at 760 mmHg |
| Melting Point | 287-290 °C(lit.) |
| Molecular Formula | C14H10O4S2 |
| Molecular Weight | 306.357 |
| Flash Point | 252.0±24.6 °C |
| Exact Mass | 306.002045 |
| PSA | 125.20000 |
| LogP | 4.16 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.736 |
| InChIKey | LBEMXJWGHIEXRA-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccccc1SSc1ccccc1C(=O)O |
| Water Solubility | insoluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | T,N |
| Risk Phrases | R22;R45;R51/53;R68 |
| Safety Phrases | S26-S36-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DG9660000 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:147-93-3
CAS#:118-92-3
CAS#:2314-97-8
CAS#:4661-46-5
CAS#:88-65-3
CAS#:124-38-9
CAS#:108-98-5![8-oxa-10-thiabicyclo[4.4.0]deca-1,3,5-trien-7-one Structure](https://image.chemsrc.com/caspic/029/5651-33-2.png)
CAS#:5651-33-2
CAS#:17333-86-7
CAS#:10512-65-9
CAS#:106032-19-3
CAS#:3704-28-7
CAS#:3724-10-5
CAS#:492-22-8
CAS#:23117-71-7
CAS#:20054-44-8
CAS#:21908-85-0
CAS#:19862-91-0![N-(3-methoxyphenyl)-2-[[2-[(3-methoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide structure](https://image.chemsrc.com/caspic/044/20068-25-1.png)
CAS#:20068-25-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Selective Nitric Oxide Synthase Inhibitor 7-Nitroindazole Protects against Cocaine-Induced Oxidative Stress in Rat Brain.
Oxid. Med. Cell. Longev. 2015 , 157876, (2015) One of the mechanisms involved in the development of addiction, as well as in brain toxicity, is the oxidative stress. The aim of the current study was to investigate the effects of 7-nitroindazole (7... |
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Black tea extract improves anti-oxidant profile in experimental diabetic rats.
Arch. Physiol. Biochem. 121 , 109-15, (2015) The purpose of this study was to investigate the in vivo anti-oxidant effect of black tea extract (BTE) supplemented to normal and alloxan-induced diabetic rats.Black tea extract (BTE) was fed to cont... |
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Sulfhydryl-modifying reagents reversibly inhibit binding of glucocorticoid-receptor complexes to DNA-cellulose.
Biochemistry 23 , 1392, (1984) Glucocorticoid -receptor complexes from intact rat thymus cells incubated with [3H]dexamethasone at 0 degree C are in the nonactivated form and do not bind to DNA-cellulose. Upon being warmed, they ar... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
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Name: Inhibitory concentration required for 50% production of p24 production.
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL879706
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Dithiosalicylic Acid |
| 2-[(2-carboxyphenyl)disulfanyl]benzoic acid |
| 2,2′-dithiodibenzoic acid |
| 2,2'-Dithiodibenzoic Acid |
| 2-Carboxyphenyl disulfide (Bis(2-carboxyphenyl) disulfide |
| 2,2′-dithiobisbenzoic acid |
| EINECS 204-352-8 |
| 2,2‘-Dithiosalicylic acid |
| 2,2'-Disulfanediyldibenzoic acid |
| 2,2’-Dithiodibenzoic Acid |
| 2,2'-Dithio salicylic acid |
| MFCD00002465 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2,2-Dithiosalicylic Acid have? |
| A: English synonyms of 2,2-Dithiosalicylic Acid: Dithiosalicylic Acid, 2-[(2-carboxyphenyl)disulfanyl]benzoic acid, 2,2′-dithiodibenzoic acid, 2,2'-Dithiodibenzoic Acid, 2-Carboxyphenyl disulfide (Bis(2-carboxyphenyl) disulfide, 2,2′-dithiobisbenzoic acid, EINECS 204-352-8, 2,2‘-Dithiosalicylic acid, 2,2'-Disulfanediyldibenzoic acid, 2,2’-Dithiodibenzoic Acid, 2,2'-Dithio salicylic acid, MFCD00002465. |
| Q: What is the polar surface area (PSA) of 2,2-Dithiosalicylic Acid? |
| A: Polar surface area (PSA) of 2,2-Dithiosalicylic Acid is 125.20000. |
| Q: What is the InChIKey of 2,2-Dithiosalicylic Acid? |
| A: InChIKey of 2,2-Dithiosalicylic Acid is LBEMXJWGHIEXRA-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 2,2-Dithiosalicylic Acid? |
| A: Related upstream materials(CAS) of 2,2-Dithiosalicylic Acid: 147-93-3;118-92-3;2314-97-8;4661-46-5;88-65-3;124-38-9;108-98-5;5651-33-2;17333-86-7. |
| Q: What is the molecular formula of 2,2-Dithiosalicylic Acid? |
| A: Molecular formula of 2,2-Dithiosalicylic Acid is C14H10O4S2. |
| Q: What is the molecular weight of 2,2-Dithiosalicylic Acid? |
| A: Molecular weight of 2,2-Dithiosalicylic Acid is 306.357. |
| Q: What is the English name of 2,2-Dithiosalicylic Acid? |
| A: The English name of 2,2-Dithiosalicylic Acid is 2,2-Dithiosalicylic Acid. |
| Q: What is the SMILES notation of 2,2-Dithiosalicylic Acid? |
| A: SMILES notation of 2,2-Dithiosalicylic Acid is O=C(O)c1ccccc1SSc1ccccc1C(=O)O. |
| Q: What is the melting point of 2,2-Dithiosalicylic Acid? |
| A: Melting point of 2,2-Dithiosalicylic Acid is 287-290 °C(lit.). |
| Q: What is the boiling point of 2,2-Dithiosalicylic Acid? |
| A: Boiling point of 2,2-Dithiosalicylic Acid is 493.1±30.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |