| CAS Number | 101421-82-3 |
| Catalog Number | AG0004GK(AGN-PC-01M8IS) |
| Chemical Name | 4-(Acetylsulfanyl)butanoic acid |
| IUPAC Name | 4-acetylsulfanylbutanoic acid |
| InChI | InChI=1S/C6H10O3S/c1-5(7)10-4-2-3-6(8)9/h2-4H2,1H3,(H,8,9) |
| InChI Key | OTORAPMCRFGVJV-UHFFFAOYSA-N |
| MDL Number | MFCD20639370 |
| Molecular Formula | C6H10O3S |
| Molecular Weight | 162.2068 |
| SMILES | C(C)(=O)SCCCC(=O)O |
| Synonyms | Butanoic acid, 4-(acetylthio)-,
101421-82-3,
S-acetyl-4-mercaptobutyric acid,
ACMC-20m4h4,
SCHEMBL1820452,
4-(Acetylsulfanyl)butanoic acid,
CTK0G8208,
DTXSID10590942,
AKOS030570814,
FCH1218931,
A1-06638,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.203g/mol |
| Monoisotopic Mass | 162.035g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.7A^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
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