| CAS Number | 190430-18-3 |
| Catalog Number | AG01AH6U(AGN-PC-06GIJM) |
| Chemical Name | 1-Benzofuran-2-carbothioamide |
| IUPAC Name | 1-benzofuran-2-carbothioamide |
| InChI | InChI=1S/C9H7NOS/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,10,12) |
| InChI Key | BVCJCOHTRYHTIG-UHFFFAOYSA-N |
| MDL Number | MFCD11179436 |
| Molecular Formula | C9H7NOS |
| Molecular Weight | 177.2230 |
| SMILES | NC(C1OC2=C(C=CC=C2)C=1)=S |
| Synonyms | 1-benzofuran-2-carbothioamide,
2-Benzofurancarbothioamide,
190430-18-3,
MFCD11179436,
ZINC36893205,
NE27013,
EN300-73858,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.221g/mol |
| Monoisotopic Mass | 177.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number