| CAS Number | 1016791-35-7 |
| Catalog Number | AG019R2R |
| Chemical Name | 2-Cyclohexylethanethioamide |
| IUPAC Name | 2-cyclohexylethanethioamide |
| InChI | InChI=1S/C8H15NS/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,9,10) |
| InChI Key | OEUGOZGOSIBTRU-UHFFFAOYSA-N |
| MDL Number | MFCD09935702 |
| Molecular Formula | C8H15NS |
| Molecular Weight | 157.2764 |
| SMILES | NC(CC1CCCCC1)=S |
| Synonyms | 2-cyclohexylethanethioamide,
1016791-35-7,
cyclohexylethanethioamide,
SCHEMBL6897785,
AC1Q5010,
ZINC19471362,
AKOS000178112,
NE44795,
EN300-88924,
|
| Complexity | 116 |
| 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 | 2 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number