| CAS Number | 71300-13-5 |
| Catalog Number | AG019X7O(AGN-PC-0N65TW) |
| Chemical Name | 2-methyl-4-(phenylsulfanyl)aniline |
| IUPAC Name | 2-methyl-4-phenylsulfanylaniline |
| InChI | InChI=1S/C13H13NS/c1-10-9-12(7-8-13(10)14)15-11-5-3-2-4-6-11/h2-9H,14H2,1H3 |
| InChI Key | MSHFAYZIPPSWHT-UHFFFAOYSA-N |
| MDL Number | MFCD12169264 |
| Molecular Formula | C13H13NS |
| Molecular Weight | 215.3140 |
| SMILES | CC1=C(N)C=CC(SC2=CC=CC=C2)=C1 |
| Synonyms | 2-methyl-4-(phenylsulfanyl)aniline,
71300-13-5,
2-methyl-4-(phenylthio)Benzenamine,
AC1Q2FKZ,
2-methyl-4-phenylthioaniline,
2-Methyl-4-(phenylthio)aniline,
SCHEMBL11354311,
CTK7D8090,
MSHFAYZIPPSWHT-UHFFFAOYSA-N,
ZINC35278529,
AKOS008130417,
MCULE-6792186564,
NE19624,
FT-0707896,
EN300-54280,
Z815264112,
2-methyl-4-phenylsulfanyl-aniline,
CID10536649,
|
| Complexity | 189 |
| 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 | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number