| CAS Number | 30247-98-4 |
| Catalog Number | AG002ZCW(AGN-PC-0NCNP7) |
| Chemical Name | Pentanoic acid, 5-mercapto- |
| IUPAC Name | 5-sulfanylpentanoic acid |
| InChI | InChI=1S/C5H10O2S/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H,6,7) |
| InChI Key | GCIZMJUHGHGRNW-UHFFFAOYSA-N |
| MDL Number | MFCD14642001 |
| Molecular Formula | C5H10O2S |
| Molecular Weight | 134.1967 |
| SMILES | SCCCCC(=O)O |
| Synonyms | 5-sulfanylpentanoic Acid,
30247-98-4,
5-Mercaptopentanoic Acid,
5-Mercapto-pentanoic acid,
Pentanoic acid, 5-mercapto-,
CHEMBL294565,
5-mercaptovaleric acid,
SCHEMBL204062,
CTK1C0536,
DTXSID90447945,
GCIZMJUHGHGRNW-UHFFFAOYSA-N,
BDBM50127619,
ZINC13519063,
AKOS010615958,
NE20435,
Pentanoicacid,5-mercapto-,
D0Z0UQ,
CID10909614,
|
| Complexity | 72.8 |
| 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 | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number