| CAS Number | 41578-04-5 |
| Catalog Number | AG01DWF7(AGN-PC-0OAC5P) |
| Chemical Name | rac-(1R,2R)-2-(methylsulfanyl)cyclohexan-1-ol |
| IUPAC Name | 2-methylsulfanylcyclohexan-1-ol |
| InChI | InChI=1S/C7H14OS/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3 |
| InChI Key | GCZNMCLRWMSTKN-UHFFFAOYSA-N |
| MDL Number | MFCD31746734 |
| Molecular Formula | C7H14OS |
| Molecular Weight | 146.2505 |
| NSC Number | 245160 |
| SMILES | CS[C@H]1[C@H](O)CCCC1 |
| Synonyms | 2-methylsulfanylcyclohexan-1-ol,
2-(Methylsulfanyl)cyclohexan-1-ol,
41578-04-5,
69262-99-3,
NSC245160,
AC1L7UMN,
SCHEMBL14403108,
DTXSID60311760,
NSC-245160,
CID316781,
|
| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.248g/mol |
| Monoisotopic Mass | 146.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number