| CAS Number | 153783-86-9 |
| Catalog Number | AG01A8A5(AGN-PC-0L70J2) |
| Chemical Name | 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid |
| IUPAC Name | 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetic acid |
| InChI | InChI=1S/C10H9ClO3S/c11-8-3-1-7(2-4-8)9(12)5-15-6-10(13)14/h1-4H,5-6H2,(H,13,14) |
| InChI Key | JIYHIZUYCBNBNM-UHFFFAOYSA-N |
| MDL Number | MFCD04067646 |
| Molecular Formula | C10H9ClO3S |
| Molecular Weight | 244.6947 |
| SMILES | OC(CSCC(C1=CC=C(Cl)C=C1)=O)=O |
| Synonyms | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid,
153783-86-9,
AC1N5IUT,
AC1Q76DY,
SCHEMBL2876673,
CTK7F7122,
ZINC6321869,
AKOS015971224,
MCULE-5435025004,
NE22475,
ST098777,
EN300-61134,
2-[2-(4-chlorophenyl)-2-oxoethylthio]acetic acid,
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetic acid,
Z275931696,
CID4195782,
2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylacetic Acid,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.689g/mol |
| Monoisotopic Mass | 243.996g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number