| CAS Number | 851175-94-5 |
| Catalog Number | AG019NT5(AGN-PC-0WOBFO) |
| Chemical Name | 2-[(5-chlorothiophen-2-yl)methanesulfonyl]acetic acid |
| IUPAC Name | 2-[(5-chlorothiophen-2-yl)methylsulfonyl]acetic acid |
| InChI | InChI=1S/C7H7ClO4S2/c8-6-2-1-5(13-6)3-14(11,12)4-7(9)10/h1-2H,3-4H2,(H,9,10) |
| InChI Key | RJPVNCUCZOEJGC-UHFFFAOYSA-N |
| MDL Number | MFCD06373469 |
| Molecular Formula | C7H7ClO4S2 |
| Molecular Weight | 254.7111 |
| SMILES | OC(CS(CC1SC(Cl)=CC=1)(=O)=O)=O |
| Synonyms | 2-[(5-chlorothiophen-2-yl)methanesulfonyl]acetic acid,
851175-94-5,
{[(5-chlorothien-2-yl)methyl]sulfonyl}acetic acid,
EN300-11727,
AC1M8CXS,
2-[(5-chlorothiophen-2-yl)methylsulfonyl]acetic Acid,
AC1Q768U,
CTK7J5597,
HMS1783F04,
ZINC3415994,
AKOS000117390,
MCULE-1307929630,
BBV-32028661,
Z57980668,
2-{[(5-chlorothiophen-2-yl)methane]sulfonyl}acetic acid,
([(5-chlorothien-2-yl)methyl]sulfonyl)acetic acid, AldrichCPR,
CID2535051,
([(5-CHLOROTHIEN-2-YL)METHYL]SULFONYL)ACETIC ACID,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.699g/mol |
| Monoisotopic Mass | 253.947g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number