| CAS Number | 1093076-67-5 |
| Catalog Number | AG01AIK0 |
| Chemical Name | 5-methylfuran-2-carbothioamide |
| IUPAC Name | 5-methylfuran-2-carbothioamide |
| InChI | InChI=1S/C6H7NOS/c1-4-2-3-5(8-4)6(7)9/h2-3H,1H3,(H2,7,9) |
| InChI Key | CGKHFDOVVVLUFG-UHFFFAOYSA-N |
| MDL Number | MFCD11179440 |
| Molecular Formula | C6H7NOS |
| Molecular Weight | 141.1909 |
| SMILES | CC1OC(C(N)=S)=CC=1 |
| Synonyms | 5-methylfuran-2-carbothioamide,
1093076-67-5,
2-Furancarbothioamide, 5-methyl-,
ZINC36893210,
NE39285,
EN300-78041,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.188g/mol |
| Monoisotopic Mass | 141.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number