4-Aminobenzoxazole-2(3H)-thione - CAS 155559-79-8
Catalog: |
BB011128 |
Product Name: |
4-Aminobenzoxazole-2(3H)-thione |
CAS: |
155559-79-8 |
Synonyms: |
4-amino-3H-1,3-benzoxazole-2-thione; 4-amino-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 4-amino-3H-1,3-benzoxazole-2-thione |
Description: | 4-Aminobenzoxazole-2(3H)-thione (CAS# 155559-79-8 ) is a useful research chemical. |
Molecular Weight: | 166.20 |
Molecular Formula: | C7H6N2OS |
Canonical SMILES: | C1=CC(=C2C(=C1)OC(=S)N2)N |
InChI: | InChI=1S/C7H6N2OS/c8-4-2-1-3-5-6(4)9-7(11)10-5/h1-3H,8H2,(H,9,11) |
InChI Key: | KIGGZGTUIZRLAP-UHFFFAOYSA-N |
LogP: | 2.27990 |
Publication Number | Title | Priority Date |
WO-2007142904-A2 | Benzoxazole and benzothiazole derivatives as 5-hydroxytrytamine-6 ligands | 20060601 |
GB-2270689-A | 2-[4,4-difluoro-but-3-enylthio)-benzthiazoles and -benzoxazoles | 19920916 |
IL-106971-A | Fluoroalkenylthio- substituted benzoxazoles and benzthiazoles and their use as pesticides | 19920916 |
IL-119810-A | Intermediate products in the preparation of benzoxazoles and benzotiazoles converted to fluoroalkenylthea | 19920916 |
WO-9406782-A1 | Benzoxazole and bezothiazole derivatives | 19920916 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Benzoxazole/Benzothiazole
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