| CAS Number | 14030-84-3 |
| Catalog Number | AG001C8Y(AGN-PC-0WA8F2) |
| Chemical Name | 3-Chloro-2-methyl-4-thiocyanatoaniline |
| IUPAC Name | (4-amino-2-chloro-3-methylphenyl) thiocyanate |
| InChI | InChI=1S/C8H7ClN2S/c1-5-6(11)2-3-7(8(5)9)12-4-10/h2-3H,11H2,1H3 |
| InChI Key | JRZHLVJULLQAMV-UHFFFAOYSA-N |
| MDL Number | MFCD11855819 |
| Molecular Formula | C8H7ClN2S |
| Molecular Weight | 198.6726 |
| SMILES | N#CSc1ccc(c(c1Cl)C)N |
| Synonyms | 3-Chloro-2-methyl-4-thiocyanatoaniline,
14030-84-3,
4-amino-2-chloro-3-methylphenyl thiocyanate,
ACMC-209cki,
SCHEMBL3699300,
CTK4C2137,
DTXSID50653368,
JRZHLVJULLQAMV-UHFFFAOYSA-N,
ANW-20560,
MFCD11855819,
ZINC30714662,
AKOS005217043,
TR-005246,
BB 0246837,
V3052,
3-Chloro-2-methyl-4-thiocyanato-phenylamin e,
B-7227,
I09-2149,
Thiocyanic acid, 4-amino-2-chloro-3-methylphenyl ester,
C8H7ClN2S,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.668g/mol |
| Monoisotopic Mass | 198.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.1A^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
Lot Number