| CAS Number | 138148-60-4 |
| Catalog Number | AG00181Q(AGN-PC-00BDZV) |
| Chemical Name | 4-(Methyldisulfanyl)butanoic acid |
| IUPAC Name | 4-(methyldisulfanyl)butanoic acid |
| InChI | InChI=1S/C5H10O2S2/c1-8-9-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7) |
| InChI Key | CXRDNLDONYMEBK-UHFFFAOYSA-N |
| MDL Number | MFCD20639700 |
| Molecular Formula | C5H10O2S2 |
| Molecular Weight | 166.2617 |
| SMILES | CSSCCCC(O)=O |
| Synonyms | Butanoic acid, 4-(methyldithio)-,
138148-60-4,
4-(methyldisulfanyl)butanoic acid,
4-(methyldithio)butanoic acid,
ACMC-20mx7l,
SCHEMBL3545819,
CTK0B8663,
DTXSID80468386,
AKOS030570830,
4-methyldisulfanylbutanoic Acid,
CID11550063,
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| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.253g/mol |
| Monoisotopic Mass | 166.012g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number