| CAS Number | 178974-87-3 |
| Catalog Number | AG019NSZ |
| Chemical Name | 2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}acetic acid |
| IUPAC Name | 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetic acid |
| InChI | InChI=1S/C7H7ClO2S2/c8-6-2-1-5(12-6)3-11-4-7(9)10/h1-2H,3-4H2,(H,9,10) |
| InChI Key | ZVDHVAAVVIVDBM-UHFFFAOYSA-N |
| MDL Number | MFCD06373491 |
| Molecular Formula | C7H7ClO2S2 |
| Molecular Weight | 222.7123 |
| SMILES | OC(CSCC1SC(Cl)=CC=1)=O |
| Synonyms | 2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}acetic acid,
178974-87-3,
{[(5-chlorothien-2-yl)methyl]thio}acetic acid,
AC1M8D4S,
AC1Q76FX,
2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetic Acid,
SCHEMBL8471828,
CTK7J5884,
ZINC3416080,
AKOS000199869,
MCULE-8298956545,
NE49963,
EN300-11711,
Z19691259,
CID2535146,
2-([(5-chlorothiophen-2-yl)methyl]sulfanyl)acetic acid,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.701g/mol |
| Monoisotopic Mass | 221.958g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number