| CAS Number | 2586-93-8 |
| Catalog Number | AG00I4XV(AGN-PC-0LQF8O) |
| Chemical Name | Benzenecarbothioamide, 2-amino-4-chloro- |
| IUPAC Name | 2-amino-4-chlorobenzenecarbothioamide |
| InChI | InChI=1S/C7H7ClN2S/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11) |
| InChI Key | LTKVCPVQNOQNKY-UHFFFAOYSA-N |
| MDL Number | MFCD17290634 |
| Molecular Formula | C7H7ClN2S |
| Molecular Weight | 186.6619 |
| SMILES | NC1=C(C(N)=S)C=CC(=C1)Cl |
| Synonyms | 2-Amino-4-chlorothiobenzamide,
2-Amino-4-chlorobenzothioamide,
2586-93-8,
2-amino-4-chloro-thiobenzoic acid amide,
2-Amino-4-chlorobenzenecarbothioamide,
SCHEMBL11822709,
LTKVCPVQNOQNKY-UHFFFAOYSA-N,
MFCD16658869,
ZINC33845706,
AKOS012382251,
2-Amino-4-chlorobenzenecarbothioamide #,
2-Amino-4-Chloro-thiobenzamide, AldrichCPR,
AC1NT02O,
CID5373383,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.001847g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.66g/mol |
| Monoisotopic Mass | 186.001847g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number