6-Aminobenzoxazole-2(3H)-thione - CAS 4694-92-2
Catalog: |
BB026197 |
Product Name: |
6-Aminobenzoxazole-2(3H)-thione |
CAS: |
4694-92-2 |
Synonyms: |
6-amino-3H-1,3-benzoxazole-2-thione; 6-amino-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 6-amino-3H-1,3-benzoxazole-2-thione |
Description: | 6-Aminobenzoxazole-2(3H)-thione (CAS# 4694-92-2) is a useful research chemical. |
Molecular Weight: | 166.20 |
Molecular Formula: | C7H6N2OS |
Canonical SMILES: | C1=CC2=C(C=C1N)OC(=S)N2 |
InChI: | InChI=1S/C7H6N2OS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H,9,11) |
InChI Key: | SARIJQZTDPNQMQ-UHFFFAOYSA-N |
Boiling Point: | 345.1 °C at 760 mmHg |
Density: | 1.452 g/cm3 |
LogP: | 2.27990 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3611224-A1 | Composition, composite film and membrane electrode assembly | 20170223 |
JP-WO2018155598-A1 | Composition, composite membrane, membrane electrode assembly | 20170223 |
US-2019367676-A1 | Composition, Composite Membrane, and Membrane Electrode Assembly | 20170223 |
WO-2018155598-A1 | Composition, composite film and membrane electrode assembly | 20170223 |
JP-2020169323-A | Composition, composite membrane, membrane electrode assembly | 20170223 |
Complexity: | 185 |
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: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.02008399 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 79.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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