| CAS Number | 7390-42-3 |
| Catalog Number | AG00FCFE(AGN-PC-0NIMNZ) |
| Chemical Name | Cyclohexanecarbothioamide |
| IUPAC Name | cyclohexanecarbothioamide |
| InChI | InChI=1S/C7H13NS/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9) |
| InChI Key | JMMKXVYQBRGGJF-UHFFFAOYSA-N |
| MDL Number | MFCD06191625 |
| Molecular Formula | C7H13NS |
| Molecular Weight | 143.2498 |
| SMILES | NC(C1CCCCC1)=S |
| Synonyms | cyclohexanecarbothioamide,
7390-42-3,
Cyclohexanecarbothioic acid amide,
cyclohexane thioamide,
cyclohexanethiocarboxamide,
SCHEMBL996354,
aminocyclohexylmethane-1-thione,
JMMKXVYQBRGGJF-UHFFFAOYSA-N,
TA001,
AC1Q5008,
ALBB-023304,
MFCD06191625,
ZINC16137785,
AKOS000148543,
MCULE-8109334870,
R9086,
ST45024940,
EN300-40100,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.248g/mol |
| Monoisotopic Mass | 143.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number