2-amino-4-hydroxybenzothiazole - CAS 7471-03-6
Catalog: |
BB035142 |
Product Name: |
2-amino-4-hydroxybenzothiazole |
CAS: |
7471-03-6 |
Synonyms: |
2-amino-1,3-benzothiazol-4-ol; 2-amino-1,3-benzothiazol-4-ol |
IUPAC Name: | 2-amino-1,3-benzothiazol-4-ol |
Description: | 2-amino-4-hydroxybenzothiazole (CAS# 7471-03-6) is a useful research chemical. |
Molecular Weight: | 166.20 |
Molecular Formula: | C7H6N2OS |
Canonical SMILES: | C1=CC(=C2C(=C1)SC(=N2)N)O |
InChI: | InChI=1S/C7H6N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H,(H2,8,9) |
InChI Key: | PFQJPSASUCHKRO-UHFFFAOYSA-N |
Boiling Point: | 394.6 ℃ at 760 mmHg |
Melting Point: | 179-181 ℃ |
Purity: | 98 % |
Density: | 1.553 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00160060 |
LogP: | 2.16530 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10968214-B2 | KRas G12C inhibitors | 20181015 |
EP-3611224-A1 | Composition, composite film and membrane electrode assembly | 20170223 |
EP-2694470-A1 | Epoxyeicosatrienoic acid analogs and methods of making and using the same | 20110406 |
EP-2694470-B1 | Epoxyeicosatrienoic acid analogs and methods of making and using the same | 20110406 |
US-2014113884-A1 | Epoxyeicosatrienoic acid analogs and methods of making and using the same | 20110406 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.02008399 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.02008399 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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