| CAS Number | 1256483-32-5 |
| Catalog Number | AG01FF5M(AGN-PC-3H4A4A) |
| Chemical Name | 4-Amino-2-chlorothiobenzamide |
| IUPAC Name | 4-amino-2-chlorobenzenecarbothioamide |
| InChI | InChI=1S/C7H7ClN2S/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H2,10,11) |
| InChI Key | KRNFZYMKATXLGD-UHFFFAOYSA-N |
| MDL Number | MFCD16659869 |
| Molecular Formula | C7H7ClN2S |
| Molecular Weight | 186.6619 |
| SMILES | Nc1ccc(c(c1)Cl)C(=S)N |
| Synonyms | 4-Amino-2-chlorothiobenzamide,
1256483-32-5,
4-Amino-2-chlorobenzothioamide,
MFCD16659869,
ZINC61849101,
AKOS012246111,
4-Amino-2-chloro-thiobenzamide, AldrichCPR,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.657g/mol |
| Monoisotopic Mass | 186.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number