| CAS Number | 950070-19-6 |
| Catalog Number | AG019L38 |
| Chemical Name | N-[4-(Aminocarbonothioyl)phenyl]thiophene-2-carboxamide |
| IUPAC Name | N-(4-carbamothioylphenyl)thiophene-2-carboxamide |
| InChI | InChI=1S/C12H10N2OS2/c13-11(16)8-3-5-9(6-4-8)14-12(15)10-2-1-7-17-10/h1-7H,(H2,13,16)(H,14,15) |
| InChI Key | BJQFGXMVRCNVEQ-UHFFFAOYSA-N |
| MDL Number | MFCD09802195 |
| Molecular Formula | C12H10N2OS2 |
| Molecular Weight | 262.3506 |
| SMILES | NC(C1=CC=C(NC(C2SC=CC=2)=O)C=C1)=S |
| Synonyms | N-(4-carbamothioylphenyl)thiophene-2-carboxamide,
950070-19-6,
N-[4-(aminocarbonothioyl)phenyl]thiophene-2-carboxamide,
AC1Q4ZZ8,
CTK7F9844,
ZINC12760935,
AKOS000203721,
MCULE-7042546141,
NE14455,
EN300-29686,
Z235362955,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.345g/mol |
| Monoisotopic Mass | 262.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number