| CAS Number | 1178225-23-4 |
| Catalog Number | AG01A8BQ(AGN-PC-0WOBV4) |
| Chemical Name | 4-(Cyclohexylsulfanyl)-2-methylaniline |
| IUPAC Name | 4-cyclohexylsulfanyl-2-methylaniline |
| InChI | InChI=1S/C13H19NS/c1-10-9-12(7-8-13(10)14)15-11-5-3-2-4-6-11/h7-9,11H,2-6,14H2,1H3 |
| InChI Key | OOGYGQCVDMVGCA-UHFFFAOYSA-N |
| MDL Number | MFCD12801138 |
| Molecular Formula | C13H19NS |
| Molecular Weight | 221.3617 |
| SMILES | CC1=C(N)C=CC(SC2CCCCC2)=C1 |
| Synonyms | 4-(cyclohexylsulfanyl)-2-methylaniline,
1178225-23-4,
AC1Q2FL1,
ZINC37684921,
AKOS008140545,
MCULE-1277115742,
NE26258,
EN300-61247,
Z1262252958,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.362g/mol |
| Monoisotopic Mass | 221.124g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number