| CAS Number | 15945-75-2 |
| Catalog Number | AG001QPM(AGN-PC-0Q7P9S) |
| Chemical Name | 2-Chloro-5-(methylsulfanyl)aniline |
| IUPAC Name | 2-chloro-5-methylsulfanylaniline |
| InChI | InChI=1S/C7H8ClNS/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3 |
| InChI Key | PUQFMQYZZXOHPG-UHFFFAOYSA-N |
| MDL Number | MFCD09833784 |
| Molecular Formula | C7H8ClNS |
| Molecular Weight | 173.6631 |
| SMILES | NC1=CC(SC)=CC=C1Cl |
| Synonyms | 15945-75-2,
2-CHLORO-5-(METHYLSULFANYL)ANILINE,
2-chloro-5-methylthioaniline,
2-CHLORO-5-METHYLSULFANYL-PHENYLAMINE,
SCHEMBL3793427,
CTK4D0088,
DTXSID10445645,
2-chloro-5-methylsulfanylphenylamine,
ZINC22012210,
AKOS006326424,
Benzenamine,2-chloro-5-(methylthio)-,
FT-0702447,
F2167-8493,
2-chloro-5-methylsulfanyl-aniline,
CID10844956,
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| 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 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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