| CAS Number | 16525-31-8 |
| Catalog Number | AG001W12(AGN-PC-00169U) |
| Chemical Name | Hexanethioamide |
| IUPAC Name | hexanethioamide |
| InChI | InChI=1S/C6H13NS/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8) |
| InChI Key | SDELOLXCTBXEAW-UHFFFAOYSA-N |
| MDL Number | MFCD09810087 |
| Molecular Formula | C6H13NS |
| Molecular Weight | 131.2391 |
| SMILES | CCCCCC(N)=S |
| Synonyms | hexanethioamide,
thiohexanamide,
16525-31-8,
AC1Q2VOH,
SCHEMBL1776587,
SCHEMBL13315301,
CTK4D2031,
DTXSID20559409,
SDELOLXCTBXEAW-UHFFFAOYSA-N,
ZINC19277392,
AKOS000156736,
NE14493,
EN300-53644,
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| Complexity | 70.9 |
| 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 | 4 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number