| CAS Number | 1341744-25-9 |
| Catalog Number | AG01B4GE |
| Chemical Name | 3-methanesulfinylcyclohexan-1-amine |
| IUPAC Name | 3-methylsulfinylcyclohexan-1-amine |
| InChI | InChI=1S/C7H15NOS/c1-10(9)7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3 |
| InChI Key | BYJYAVYDWVNBHG-UHFFFAOYSA-N |
| MDL Number | MFCD20402520 |
| Molecular Formula | C7H15NOS |
| Molecular Weight | 161.2651 |
| SMILES | CS(C1CC(N)CCC1)=O |
| Synonyms | 3-methanesulfinylcyclohexan-1-amine,
1341744-25-9,
AKOS014045050,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.263g/mol |
| Monoisotopic Mass | 161.087g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number