2-(carboxymethylthio)benzoic acid
2-(carboxymethylthio)benzoic acid structure
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Common Name | 2-(carboxymethylthio)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 135-13-7 | Molecular Weight | 212.22200 | |
| Density | 1.49 g/cm3 | Boiling Point | 423ºC at 760 mmHg | |
| Molecular Formula | C9H8O4S | Melting Point | 208 °C | |
| MSDS | N/A | Flash Point | 209.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(carboxymethylsulfanyl)benzoic 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 | 1.49 g/cm3 |
|---|---|
| Boiling Point | 423ºC at 760 mmHg |
| Melting Point | 208 °C |
| Molecular Formula | C9H8O4S |
| Molecular Weight | 212.22200 |
| Flash Point | 209.6ºC |
| Exact Mass | 212.01400 |
| PSA | 99.90000 |
| LogP | 1.56150 |
| Vapour Pressure | 6.55E-08mmHg at 25°C |
| InChIKey | GMBZSYUPMWCDGK-UHFFFAOYSA-N |
| SMILES | O=C(O)CSc1ccccc1C(=O)O |
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.
| Hazard Codes | T |
|---|---|
| Safety Phrases | S22-S24/25 |
| RTECS | DG4975500 |
| 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 10 | |
|---|---|
| DownStream 9 | |
CAS#:119-80-2
CAS#:79-11-8
CAS#:118-92-3
CAS#:124-38-9
CAS#:100-68-5
CAS#:19614-16-5
CAS#:17333-86-7
CAS#:68-11-1
CAS#:860696-98-6
CAS#:147-93-3
CAS#:520-72-9![BENZO[B]THIOPHENE-7-CARBOXYLIC ACID structure](https://image.chemsrc.com/caspic/454/10134-98-2.png)
CAS#:10134-98-2![METHYL 3-HYDROXYBENZO[B]THIOPHENE-2-CARBOXYLATE structure](https://image.chemsrc.com/caspic/359/13134-76-4.png)
CAS#:13134-76-4
CAS#:14006-54-3![Benzo[b]thiophen-3(2H)-one structure](https://image.chemsrc.com/caspic/085/130-03-0.png)
CAS#:130-03-0
CAS#:24434-82-0![sodium 2-[3-(4-sulfonato-o-tolyliminio)-6-o-toluidino-3H-xanthen-9-yl]benzoate structure](https://image.chemsrc.com/caspic/440/6252-78-4.png)
CAS#:6252-78-4
CAS#:6287-88-3
CAS#:65-85-0This 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 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: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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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: HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Base...
Source: Broad Institute
Target: Hsf1 protein
External Id: 2038-03_Inhibitor_Dose_CherryPick_Activity_Set4
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 205-178-5 |
| 2-Carboxymethylmercapto-benzoesaeure |
| Acetic acid,(2-carboxyphenyl)thio |
| 2-Carboxyphenylthioglycolic acid |
| 2-<(carboxymethyl)thio>benzoic acid |
| o-Carboxyphenylthioglycollic acid |
| (o-Carboxyphenylthio)acetic acid |
| 2-(Carboxymethylthio)benzoic acid |
| 2-(3-FLUOROPHENYL)ACETOPHENONE |
| 2-(carbomethylthio)benzoic acid |
| MFCD00021761 |
| 2-carboxymethylsulfanyl-benzoic acid |
| (S-Phenyl-thioglykolsaeure)-o-carbonsaeure |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 2-(carboxymethylsulfanyl)benzoic acid? |
| A: Molecular weight of 2-(carboxymethylsulfanyl)benzoic acid is 212.22200. |
| Q: What is the CAS number of 2-(carboxymethylsulfanyl)benzoic acid? |
| A: CAS number of 2-(carboxymethylsulfanyl)benzoic acid is 135-13-7. |
| Q: What is the InChIKey of 2-(carboxymethylsulfanyl)benzoic acid? |
| A: InChIKey of 2-(carboxymethylsulfanyl)benzoic acid is GMBZSYUPMWCDGK-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 2-(carboxymethylsulfanyl)benzoic acid? |
| A: Related upstream materials(CAS) of 2-(carboxymethylsulfanyl)benzoic acid: 119-80-2;79-11-8;118-92-3;124-38-9;100-68-5;19614-16-5;17333-86-7;68-11-1;860696-98-6;147-93-3. |
| Q: What English synonyms does 2-(carboxymethylsulfanyl)benzoic acid have? |
| A: English synonyms of 2-(carboxymethylsulfanyl)benzoic acid: EINECS 205-178-5, 2-Carboxymethylmercapto-benzoesaeure, Acetic acid,(2-carboxyphenyl)thio, 2-Carboxyphenylthioglycolic acid, 2-benzoic acid, o-Carboxyphenylthioglycollic acid, (o-Carboxyphenylthio)acetic acid, 2-(Carboxymethylthio)benzoic acid, 2-(3-FLUOROPHENYL)ACETOPHENONE, 2-(carbomethylthio)benzoic acid, MFCD00021761, 2-carboxymethylsulfanyl-benzoic acid, (S-Phenyl-thioglykolsaeure)-o-carbonsaeure. |
| Q: What is the molecular formula of 2-(carboxymethylsulfanyl)benzoic acid? |
| A: Molecular formula of 2-(carboxymethylsulfanyl)benzoic acid is C9H8O4S. |
| Q: What is the LogP of 2-(carboxymethylsulfanyl)benzoic acid? |
| A: LogP of 2-(carboxymethylsulfanyl)benzoic acid is 1.56150. |
| Q: What is the safety information for 2-(carboxymethylsulfanyl)benzoic acid? |
| A: Safety information for 2-(carboxymethylsulfanyl)benzoic acid: S22-S24/25. |
| Q: What is the polar surface area (PSA) of 2-(carboxymethylsulfanyl)benzoic acid? |
| A: Polar surface area (PSA) of 2-(carboxymethylsulfanyl)benzoic acid is 99.90000. |
| Q: What is the boiling point of 2-(carboxymethylsulfanyl)benzoic acid? |
| A: Boiling point of 2-(carboxymethylsulfanyl)benzoic acid is 423ºC 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. |