| CAS Number | 1384798-69-9 |
| Catalog Number | AG019ZUR(AGN-PC-0WO39I) |
| Chemical Name | 2-(Allylamino)thiazole-5-carboxylic acid |
| IUPAC Name | 2-(prop-2-enylamino)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C7H8N2O2S/c1-2-3-8-7-9-4-5(12-7)6(10)11/h2,4H,1,3H2,(H,8,9)(H,10,11) |
| InChI Key | SZRYTNPYQFUEAC-UHFFFAOYSA-N |
| MDL Number | MFCD22375348 |
| Molecular Formula | C7H8N2O2S |
| Molecular Weight | 184.2156 |
| SMILES | OC(C1SC(NCC=C)=NC=1)=O |
| Synonyms | 1384798-69-9,
2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylic acid,
2-(Allylamino)thiazole-5-carboxylic acid,
2-(prop-2-en-1-ylamino)-1,3-thiazole-5-carboxylic acid,
ZINC75109314,
AKOS026727152,
MCULE-1793882444,
NE32814,
RP24463,
Z1416200953,
2-Allylamino-thiazole-5-carboxylic acid,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.213g/mol |
| Monoisotopic Mass | 184.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number