5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
![5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL Structure](https://image.chemsrc.com/caspic/358/39751-84-3.png)
5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL structure
|
Common Name | 5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL | ||
|---|---|---|---|---|
| CAS Number | 39751-84-3 | Molecular Weight | 256.12200 | |
| Density | 1.83g/cm3 | Boiling Point | 325.6ºC at 760 mmHg | |
| Molecular Formula | C8H6BrN3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 150.7ºC | |
Summary: 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione (CAS number: 39751-84-3, molecular formula: C8H6BrN3S, molecular weight: 256.12), for research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione |
|---|---|
| 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 | 1.83g/cm3 |
|---|---|
| Boiling Point | 325.6ºC at 760 mmHg |
| Molecular Formula | C8H6BrN3S |
| Molecular Weight | 256.12200 |
| Flash Point | 150.7ºC |
| Exact Mass | 254.94700 |
| PSA | 80.37000 |
| LogP | 2.52290 |
| Index of Refraction | 1.775 |
| InChIKey | SVLYSRWJOIGDAY-UHFFFAOYSA-N |
| SMILES | S=c1nc(-c2ccccc2Br)[nH][nH]1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~68%
5-(2-BROMO-PHEN... CAS#:39751-84-3 |
| Literature: Bindal, Varinder; Sharma, Brij Raj; Narayan, Sat; Handa, R. N.; Pujari, H. K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987 , vol. 26, # 1-12 p. 526 - 531 |
|
~%
5-(2-BROMO-PHEN... CAS#:39751-84-3 |
| Literature: Bindal, Varinder; Sharma, Brij Raj; Narayan, Sat; Handa, R. N.; Pujari, H. K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987 , vol. 26, # 1-12 p. 526 - 531 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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.
|
|
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
|
|
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
|
|
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
|
|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol |
| 3-(o-bromophenyl)-5-mercapto-s-triazole |
| 4h-1,2,4-triazole-3-thiol,5-(2-bromophenyl) |
| 5-bromo-3-mercapto-1,2,4-triazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione? |
| A: LogP of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is 2.52290. |
| Q: What is the InChIKey of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione? |
| A: InChIKey of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is SVLYSRWJOIGDAY-UHFFFAOYSA-N. |
| Q: What is the English name of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione? |
| A: The English name of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione. |
| Q: What English synonyms does 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione have? |
| A: English synonyms of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione: 5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol, 3-(o-bromophenyl)-5-mercapto-s-triazole, 4h-1,2,4-triazole-3-thiol,5-(2-bromophenyl), 5-bromo-3-mercapto-1,2,4-triazole. |
| Q: What is the SMILES notation of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione? |
| A: SMILES notation of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is S=c1nc(-c2ccccc2Br)[nH][nH]1. |
| Q: What is the boiling point of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione? |
| A: Boiling point of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is 325.6ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione? |
| A: Polar surface area (PSA) of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is 80.37000. |
| Q: What is the molecular weight of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione? |
| A: Molecular weight of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is 256.12200. |
| Q: What is the CAS number of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione? |
| A: CAS number of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is 39751-84-3. |
| Q: What is the molecular formula of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione? |
| A: Molecular formula of 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is C8H6BrN3S. |
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. |