| CAS Number | 180044-46-6 |
| Catalog Number | AG019NC0(AGN-PC-00UY6B) |
| Chemical Name | [(Thien-2-ylmethyl)sulfonyl]acetic acid |
| IUPAC Name | 2-(thiophen-2-ylmethylsulfonyl)acetic acid |
| InChI | InChI=1S/C7H8O4S2/c8-7(9)5-13(10,11)4-6-2-1-3-12-6/h1-3H,4-5H2,(H,8,9) |
| InChI Key | QIEJAIPLZDLEOB-UHFFFAOYSA-N |
| MDL Number | MFCD08444899 |
| Molecular Formula | C7H8O4S2 |
| Molecular Weight | 220.2660 |
| SMILES | OC(CS(CC1SC=CC=1)(=O)=O)=O |
| Synonyms | [(thien-2-ylmethyl)sulfonyl]acetic acid,
2-(thiophen-2-ylmethanesulfonyl)acetic acid,
180044-46-6,
AC1Q768V,
CTK8F2288,
ZINC19515379,
AKOS000192266,
MCULE-4674642433,
NE57827,
2-(thiophen-2-ylmethylsulfonyl)acetic acid,
EN300-39949,
2-[(thiophen-2-yl)methanesulfonyl]acetic acid,
2-[(thiophen-2-ylmethane)sulfonyl]acetic acid,
Z228588774,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.257g/mol |
| Monoisotopic Mass | 219.986g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number