| CAS Number | 2126144-44-1 |
| Catalog Number | AG01E7QD |
| Chemical Name | (1s,4s)-4-methylcyclohexane-1-carbothioamide |
| IUPAC Name | 4-methylcyclohexane-1-carbothioamide |
| InChI | InChI=1S/C8H15NS/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H2,9,10) |
| InChI Key | ZCWQWWREZCGLPD-UHFFFAOYSA-N |
| MDL Number | MFCD30751298 |
| Molecular Formula | C8H15NS |
| Molecular Weight | 157.2764 |
| SMILES | C[C@@H]1CC[C@H](C(N)=S)CC1 |
| Synonyms | 4-methylcyclohexane-1-carbothioamide,
1248248-92-1,
SCHEMBL17885698,
AKOS011143559,
(1S,4s)-4-methylcyclohexane-1-carbothioamide,
2126144-44-1,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.275g/mol |
| Monoisotopic Mass | 157.093g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number