| CAS Number | 848658-69-5 |
| Catalog Number | AG019OI6 |
| Chemical Name | N-(4-carbamothioylphenyl)furan-2-carboxamide |
| IUPAC Name | N-(4-carbamothioylphenyl)furan-2-carboxamide |
| InChI | InChI=1S/C12H10N2O2S/c13-11(17)8-3-5-9(6-4-8)14-12(15)10-2-1-7-16-10/h1-7H,(H2,13,17)(H,14,15) |
| InChI Key | RXMLGSFGWMVUMC-UHFFFAOYSA-N |
| MDL Number | MFCD07330482 |
| Molecular Formula | C12H10N2O2S |
| Molecular Weight | 246.2850 |
| SMILES | NC(C1=CC=C(NC(C2OC=CC=2)=O)C=C1)=S |
| Synonyms | N-(4-carbamothioylphenyl)furan-2-carboxamide,
848658-69-5,
N-[4-(aminocarbonothioyl)phenyl]-2-furamide,
AC1NLR5Z,
AC1Q4ZZ7,
CTK7F9710,
ZINC4207286,
AKOS000198070,
MCULE-9317495919,
NE13536,
EN300-14061,
SR-01000073149,
SR-01000073149-1,
Z96092815,
ZINC04207286,
CID4962800,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.284g/mol |
| Monoisotopic Mass | 246.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number