| CAS Number | 80393-37-9 |
| Catalog Number | AG019NH8(AGN-PC-040LN6) |
| Chemical Name | 4-Carbamothioylbenzamide |
| IUPAC Name | 4-carbamothioylbenzamide |
| InChI | InChI=1S/C8H8N2OS/c9-7(11)5-1-3-6(4-2-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12) |
| InChI Key | SFZWPDVFJRWAAO-UHFFFAOYSA-N |
| MDL Number | MFCD09950092 |
| Molecular Formula | C8H8N2OS |
| Molecular Weight | 180.2269 |
| SMILES | NC(C1=CC=C(C(N)=S)C=C1)=O |
| Synonyms | 4-carbamothioylbenzamide,
4-(aminocarbonothioyl)benzamide,
4-Thiocarbamoylbenzamide,
80393-37-9,
AC1Q4ZBH,
SCHEMBL2304015,
CTK7D2660,
ZINC19518208,
AKOS000195784,
MCULE-5549092111,
NE14685,
EN300-40415,
4-(thiocarbamoyl)benzamide,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.225g/mol |
| Monoisotopic Mass | 180.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number