| CAS Number | 84212-01-1 |
| Catalog Number | AG01BU0Z(AGN-PC-0NKIDQ) |
| Chemical Name | [4-(Ethylsulfanyl)phenyl]methanamine |
| IUPAC Name | (4-ethylsulfanylphenyl)methanamine |
| InChI | InChI=1S/C9H13NS/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3 |
| InChI Key | UBUPKYLDQOUBFF-UHFFFAOYSA-N |
| MDL Number | MFCD12191879 |
| Molecular Formula | C9H13NS |
| Molecular Weight | 167.2712 |
| SMILES | CCSC1=CC=C(CN)C=C1 |
| Synonyms | (4-(ethylthio)phenyl)methanamine,
[4-(ethylsulfanyl)phenyl]methanamine,
84212-01-1,
4-(ethylthio)benzylamine,
SCHEMBL15485754,
UBUPKYLDQOUBFF-UHFFFAOYSA-N,
ZINC35719958,
AKOS009559497,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.27g/mol |
| Monoisotopic Mass | 167.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number