Basic information
- CAS
21278-79-5- Standard SMILES
O=C(O)C=Cc1csc(-c2ccc(Cl)cc2)n1- InChIKey
BICYJZAZESUKND-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO2S
- Average molar mass
- 265.72 g/mol
- Monoisotopic mass
- 264.9964274
Overview
inhibitor of platelet aggregation; structure
Names & identifiers
- Preferred name
- Wy 23049
- IUPAC
- 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
Names & synonyms
4-Thiazoleacrylic acid, 2-(p-chlorophenyl)-21278-79-5Wy-23049Wy-23,0492-(p-Chlorophenyl)-4-thiazoleacrylic acidWy 230492-Propenoic acid, 3-(2-(4-chlorophenyl)-4-thiazolyl)-2-Propenoic acid, 3-[2-(4-chlorophenyl)-4-thiazolyl]-RefChem:934263NSC-303010R8MAS44UMBSCHEMBL11061838
Show more names
NSC 303010WY23049DS-008775beta-(2-p-Chlorophenylthiazol-4-yl)acrylic acid3-(2-(4-Chlorophenyl)thiazol-4-yl)acrylic acid3-[2-(4-Chlorophenyl)-4-thiazolyl]-2-propenoic acid
Database identifiers
- CAS
21278-79-5- PubChem CID
- 89478
- UNII
- R8MAS44UMB
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…