| CAS Number | 23724-54-1 |
| Catalog Number | AG019XZE(AGN-PC-05CX6Y) |
| Chemical Name | 3-chloro-4-[(4-methoxyphenyl)sulfanyl]aniline |
| IUPAC Name | 3-chloro-4-(4-methoxyphenyl)sulfanylaniline |
| InChI | InChI=1S/C13H12ClNOS/c1-16-10-3-5-11(6-4-10)17-13-7-2-9(15)8-12(13)14/h2-8H,15H2,1H3 |
| InChI Key | CZKIDNZYRALHKV-UHFFFAOYSA-N |
| MDL Number | MFCD11132355 |
| Molecular Formula | C13H12ClNOS |
| Molecular Weight | 265.7585 |
| SMILES | COC1=CC=C(SC2=C(Cl)C=C(N)C=C2)C=C1 |
| Synonyms | 3-chloro-4-[(4-methoxyphenyl)sulfanyl]aniline,
23724-54-1,
AC1Q4DRW,
CTK7A5472,
ZINC19845582,
AKOS000214847,
MCULE-3197102136,
NE14956,
3-chloro-4-(4-methoxyphenylthio)benzenamine,
EN300-56476,
Z910841966,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.755g/mol |
| Monoisotopic Mass | 265.033g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number