| CAS Number | 16525-32-9 |
| Catalog Number | AG019V9S(AGN-PC-0WCLMF) |
| Chemical Name | 4-Methylpentanethioamide |
| IUPAC Name | 4-methylpentanethioamide |
| InChI | InChI=1S/C6H13NS/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8) |
| InChI Key | LLPJKXFEWSFTAI-UHFFFAOYSA-N |
| MDL Number | MFCD09814745 |
| Molecular Formula | C6H13NS |
| Molecular Weight | 131.2391 |
| SMILES | CC(CCC(N)=S)C |
| Synonyms | 4-methylpentanethioamide,
16525-32-9,
AC1Q1PAU,
SCHEMBL6040457,
CTK6A7260,
ZINC19388633,
AKOS000158306,
NE18941,
EN300-44188,
|
| Complexity | 78.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.237g/mol |
| Monoisotopic Mass | 131.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number