| CAS Number | 1044756-79-7 |
| Catalog Number | AG01AUJB |
| Chemical Name | 5,6-Dihydro-4H-cyclopenta[d]thiazole-2-carboxylic acid |
| IUPAC Name | 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid |
| InChI | InChI=1S/C7H7NO2S/c9-7(10)6-8-4-2-1-3-5(4)11-6/h1-3H2,(H,9,10) |
| InChI Key | MDBJAVUQMPHOKH-UHFFFAOYSA-N |
| MDL Number | MFCD10700218 |
| Molecular Formula | C7H7NO2S |
| Molecular Weight | 169.2010 |
| SMILES | OC(C1SC2=C(CCC2)N=1)=O |
| Synonyms | 1044756-79-7,
4H,5H,6H-cyclopenta[d][1,3]thiazole-2-carboxylic acid,
5,6-dihydro-4H-cyclopenta[d]thiazole-2-carboxylic acid,
SCHEMBL8003326,
MDBJAVUQMPHOKH-UHFFFAOYSA-N,
ZINC20442143,
AKOS006240826,
5,6-dihydro-4H-cyclopentathiazole-2-carboxylic acid,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.198g/mol |
| Monoisotopic Mass | 169.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number