6-Amino-2-mercaptobenzothiazole - CAS 7442-07-1
Catalog: |
BB035081 |
Product Name: |
6-Amino-2-mercaptobenzothiazole |
CAS: |
7442-07-1 |
Synonyms: |
6-amino-3H-1,3-benzothiazole-2-thione |
IUPAC Name: | 6-amino-3H-1,3-benzothiazole-2-thione |
Description: | 6-Amino-2-mercaptobenzothiazole (CAS# 7442-07-1) is a useful research chemical. |
Molecular Weight: | 182.27 |
Molecular Formula: | C7H6N2S2 |
Canonical SMILES: | C1=CC2=C(C=C1N)SC(=S)N2 |
InChI: | InChI=1S/C7H6N2S2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10) |
InChI Key: | IDPNFKLUBIKHSW-UHFFFAOYSA-N |
Boiling Point: | 267-272 °C |
Density: | 1.54 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00059164 |
LogP: | 2.74840 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22634634 | 20120701 | A biased ligand for OXE-R uncouples Gα and Gβγ signaling within a heterotrimer | Nature chemical biology |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.99724055 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.99724055 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 95.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Oxazole/Thiazole
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