| CAS Number | 32631-26-8 |
| Catalog Number | AG01A8S9(AGN-PC-0436VO) |
| Chemical Name | 3-Chloro-4-(phenylsulfanyl)aniline |
| IUPAC Name | 3-chloro-4-phenylsulfanylaniline |
| InChI | InChI=1S/C12H10ClNS/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h1-8H,14H2 |
| InChI Key | CKRNYBQUMRCICU-UHFFFAOYSA-N |
| MDL Number | MFCD11132281 |
| Molecular Formula | C12H10ClNS |
| Molecular Weight | 235.7325 |
| SMILES | NC1=CC(Cl)=C(SC2=CC=CC=C2)C=C1 |
| Synonyms | 3-chloro-4-(phenylsulfanyl)aniline,
32631-26-8,
Benzenamine, 3-chloro-4-(phenylthio)-,
AC1Q51MS,
3-chloro-4-thiophenoxyaniline,
SCHEMBL5253210,
3-chloro-4-(phenylthio)aniline,
CKRNYBQUMRCICU-UHFFFAOYSA-N,
ZINC19845494,
AKOS000215524,
4-amino-2-chlorophenyl phenyl sulphide,
MCULE-9279738924,
NE24855,
NCGC00322958-01,
EN300-62434,
AB01185467-03,
Z992717306,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.729g/mol |
| Monoisotopic Mass | 235.022g/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