| CAS Number | 1218116-94-9 |
| Catalog Number | AG01AADF(AGN-PC-0WO3EW) |
| Chemical Name | 2-(5-chlorothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid |
| IUPAC Name | 2-(5-chlorothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C8H8ClNO2S2/c9-6-2-1-5(14-6)7-10-4(3-13-7)8(11)12/h1-2,4,7,10H,3H2,(H,11,12) |
| InChI Key | IKBXTCUEVOKTDZ-UHFFFAOYSA-N |
| MDL Number | MFCD11186361 |
| Molecular Formula | C8H8ClNO2S2 |
| Molecular Weight | 249.7376 |
| SMILES | OC(C1NC(C2SC(Cl)=CC=2)SC1)=O |
| Synonyms | 2-(5-chlorothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid,
1218116-94-9,
AC1Q74QL,
AKOS008126039,
MCULE-7691597459,
NE20068,
EN300-68282,
Z1160899477,
2-(5-chlorothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid, Mixture of diastereomers,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.727g/mol |
| Monoisotopic Mass | 248.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number