| CAS Number | 13700-15-7 |
| Catalog Number | AG0012OY(AGN-PC-0PL697) |
| Chemical Name | 2-(methanesulfonylsulfanyl)acetic acid |
| IUPAC Name | 2-methylsulfonylsulfanylacetic acid |
| InChI | InChI=1S/C3H6O4S2/c1-9(6,7)8-2-3(4)5/h2H2,1H3,(H,4,5) |
| InChI Key | ASUZQXBECRATCB-UHFFFAOYSA-N |
| MDL Number | MFCD04116128 |
| Molecular Formula | C3H6O4S2 |
| Molecular Weight | 170.2073 |
| SMILES | CS(SCC(O)=O)(=O)=O |
| Synonyms | Carboxymethyl methanethiosulfonate,
13700-15-7,
2-(methanesulfonylsulfanyl)acetic acid,
2-methylsulfonylsulfanylacetic Acid,
MTSCM,
AC1N6IDZ,
Thio-methanesulfonic Acid,
2-(methylsulfonylthio)acetic acid,
[(Methylsulfonyl)thio]acetic Acid,
ZINC2528482,
Mercapto-acetic Acid methanesulfonate,
Acetic acid, [(methylsulfonyl)thio]-,
AKOS006293192,
CARBOXYMETHYLMETHANETHIOSULFONATE,
J-006947,
CID4215938,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.197g/mol |
| Monoisotopic Mass | 169.971g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number