| CAS Number | 19284-91-4 |
| Catalog Number | AG019RKV(AGN-PC-0JU7EC) |
| Chemical Name | 3-Chloro-2-(methylsulfanyl)aniline |
| IUPAC Name | 3-chloro-2-methylsulfanylaniline |
| InChI | InChI=1S/C7H8ClNS/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3 |
| InChI Key | WYILPFRFCVIKAK-UHFFFAOYSA-N |
| MDL Number | MFCD11636607 |
| Molecular Formula | C7H8ClNS |
| Molecular Weight | 173.6631 |
| SMILES | CSC1=C(C=CC=C1Cl)N |
| Synonyms | 3-chloro-2-(methylsulfanyl)aniline,
19284-91-4,
3-chloro-2-(methylthio)aniline,
AC1LD1A9,
SCHEMBL3781780,
3-chloro-2-methylsulfanylaniline,
WYILPFRFCVIKAK-UHFFFAOYSA-N,
3-chloro-2-(methylthio)benzenamine,
ZINC32299692,
AKOS009467741,
NE56004,
benzenamine, 3-chloro-2-(methylthio)-,
EN300-89903,
Z1263529792,
InChI=1/C7H8ClNS/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H,
CID640703,
2-amino-6-chlorophenyl methyl sulphide,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.658g/mol |
| Monoisotopic Mass | 173.007g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number