| CAS Number | 1341795-21-8 |
| Catalog Number | AG01BS1V |
| Chemical Name | 3-chloro-4-(methylamino)benzene-1-carbothioamide |
| IUPAC Name | 3-chloro-4-(methylamino)benzenecarbothioamide |
| InChI | InChI=1S/C8H9ClN2S/c1-11-7-3-2-5(8(10)12)4-6(7)9/h2-4,11H,1H3,(H2,10,12) |
| InChI Key | BZKZXIBQTZYTQA-UHFFFAOYSA-N |
| MDL Number | MFCD17291539 |
| Molecular Formula | C8H9ClN2S |
| Molecular Weight | 200.6885 |
| SMILES | CNC1=C(Cl)C=C(C(N)=S)C=C1 |
| Synonyms | 3-chloro-4-(methylamino)benzene-1-carbothioamide,
1341795-21-8,
ZINC62795063,
AKOS012387326,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.684g/mol |
| Monoisotopic Mass | 200.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number