4-(2-Amino-4-thiazolyl)benzoic Acid - CAS 216959-94-3
Catalog: |
BB017090 |
Product Name: |
4-(2-Amino-4-thiazolyl)benzoic Acid |
CAS: |
216959-94-3 |
Synonyms: |
4-(2-amino-4-thiazolyl)benzoic acid; 4-(2-amino-1,3-thiazol-4-yl)benzoic acid |
IUPAC Name: | 4-(2-amino-1,3-thiazol-4-yl)benzoic acid |
Description: | 4-(2-Amino-4-thiazolyl)benzoic Acid (CAS# 216959-94-3 ) is a useful research chemical. |
Molecular Weight: | 220.25 |
Molecular Formula: | C10H8N2O2S |
Canonical SMILES: | C1=CC(=CC=C1C2=CSC(=N2)N)C(=O)O |
InChI: | InChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-1-3-7(4-2-6)9(13)14/h1-5H,(H2,11,12)(H,13,14) |
InChI Key: | DGZPYJBDYGAEBE-UHFFFAOYSA-N |
MDL: | MFCD01460736 |
LogP: | 2.67170 |
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 |
US-2009317360-A1 | Anti-viral inhibitors and methods of use | 20070612 |
WO-2008154601-A1 | Anti-viral inhibitors and methods of use | 20070612 |
WO-2008068470-A1 | Antibacterial polycyclic urea compounds | 20061204 |
EP-2097405-A2 | Anti-viral compounds | 20061121 |
EP-2099778-A2 | Amido anti-viral compounds | 20061121 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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