| CAS Number | 125791-83-5 |
| Catalog Number | AG000OR2(AGN-PC-00OJM3) |
| Chemical Name | 4-mercaptopentanoic acid |
| IUPAC Name | 4-sulfanylpentanoic acid |
| InChI | InChI=1S/C5H10O2S/c1-4(8)2-3-5(6)7/h4,8H,2-3H2,1H3,(H,6,7) |
| InChI Key | NEAFWRKPYYJETG-UHFFFAOYSA-N |
| MDL Number | MFCD09817637 |
| Molecular Formula | C5H10O2S |
| Molecular Weight | 134.1967 |
| SMILES | SC(CCC(=O)O)C |
| Synonyms | 4-sulfanylpentanoic acid,
125791-83-5,
Pentanoic acid, 4-mercapto-,
4-MERCAPTO-PENTANOIC ACID,
4-mercaptopentanoic acid,
ACMC-20mrog,
4-mercaptovaleric acid,
SCHEMBL535764,
CTK0C2258,
DTXSID00570278,
AKOS011496159,
NE29144,
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| Complexity | 82.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.193g/mol |
| Monoisotopic Mass | 134.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number