| CAS Number | 1209208-42-3 |
| Catalog Number | AG00HFT9(AGN-PC-0WP1NF) |
| Chemical Name | 5-Chloro-2-(methylsulfanyl)aniline hydrochloride |
| IUPAC Name | 5-chloro-2-methylsulfanylaniline;hydrochloride |
| InChI | InChI=1S/C7H8ClNS.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H |
| InChI Key | JRGSQBXAIVDPNN-UHFFFAOYSA-N |
| MDL Number | MFCD13196277 |
| Molecular Formula | C7H9Cl2NS |
| Molecular Weight | 210.1241 |
| SMILES | Cl.CSC1=C(N)C=C(Cl)C=C1 |
| Synonyms | 5-chloro-2-(methylsulfanyl)aniline hydrochloride,
1209208-42-3,
AC1Q3C6A,
CTK7B5042,
AKOS026672511,
MCULE-7498924175,
NE31438,
EN300-55784,
[5-chloro-2-(methylthio)phenyl]amine hydrochloride,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.116g/mol |
| Monoisotopic Mass | 208.983g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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