| CAS Number | 60033-23-0 |
| Catalog Number | AG01A5WH(AGN-PC-00BZE0) |
| Chemical Name | 2-(Methyldisulfanyl)acetic acid |
| IUPAC Name | 2-(methyldisulfanyl)acetic acid |
| InChI | InChI=1S/C3H6O2S2/c1-6-7-2-3(4)5/h2H2,1H3,(H,4,5) |
| InChI Key | RAMAFUFQWPVITF-UHFFFAOYSA-N |
| MDL Number | MFCD19228343 |
| Molecular Formula | C3H6O2S2 |
| Molecular Weight | 138.2085 |
| SMILES | CSSCC(O)=O |
| Synonyms | 2-(methyldisulfanyl)acetic acid,
60033-23-0,
Acetic acid, (methyldithio)-,
(Methyldithio)acetic acid,
SCHEMBL352634,
CTK2F1643,
DTXSID20468845,
(METHYLDISULFANYL)ACETIC ACID,
MFCD19228343,
ZINC35854844,
AKOS006377045,
NE41800,
F8881-3230,
2-methyldisulfanylacetic Acid,
CID11579137,
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| Complexity | 64 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.199g/mol |
| Monoisotopic Mass | 137.981g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number