| CAS Number | 63167-04-4 |
| Catalog Number | AG01AGKB(AGN-PC-001AVX) |
| Chemical Name | [2-(phenylsulfanyl)phenyl]methanamine |
| IUPAC Name | (2-phenylsulfanylphenyl)methanamine |
| InChI | InChI=1S/C13H13NS/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10,14H2 |
| InChI Key | DJLYZQORDBVJFE-UHFFFAOYSA-N |
| MDL Number | MFCD12191901 |
| Molecular Formula | C13H13NS |
| Molecular Weight | 215.3140 |
| SMILES | NCC1=C(SC2=CC=CC=C2)C=CC=C1 |
| Synonyms | [2-(phenylsulfanyl)phenyl]methanamine,
63167-04-4,
2-(phenylthio)benzylamine,
AC1Q53TA,
SCHEMBL5333062,
DJLYZQORDBVJFE-UHFFFAOYSA-N,
ZINC34288514,
AKOS009558592,
MCULE-4668382173,
NE26282,
EN300-72102,
Z1266823287,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.314g/mol |
| Monoisotopic Mass | 215.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number