| CAS Number | 23530-69-0 |
| Catalog Number | AG002NLE(AGN-PC-0WABAN) |
| Chemical Name | 5-Chloro-2-methyl-4-thiocyanatoaniline |
| IUPAC Name | (4-amino-2-chloro-5-methylphenyl) thiocyanate |
| InChI | InChI=1S/C8H7ClN2S/c1-5-2-8(12-4-10)6(9)3-7(5)11/h2-3H,11H2,1H3 |
| InChI Key | NFXSLDRQHOANJR-UHFFFAOYSA-N |
| MDL Number | MFCD12026046 |
| Molecular Formula | C8H7ClN2S |
| Molecular Weight | 198.6726 |
| SMILES | N#CSc1cc(C)c(cc1Cl)N |
| Synonyms | 5-Chloro-2-methyl-4-thiocyanatoaniline,
23530-69-0,
ACMC-209g3t,
CTK4F1730,
DTXSID20675052,
ANW-25143,
MFCD12026046,
ZINC38537537,
AKOS006315834,
TR-010922,
4-Amino-2-chloro-5-methylphenyl thiocyanate,
V4572,
K-6427,
I09-2153,
Thiocyanic acid, 4-amino-2-chloro-5-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