| CAS Number | 1274792-12-9 |
| Catalog Number | AG01BU6W |
| Chemical Name | (2,2-difluoroethyl)thiourea |
| IUPAC Name | 2,2-difluoroethylthiourea |
| InChI | InChI=1S/C3H6F2N2S/c4-2(5)1-7-3(6)8/h2H,1H2,(H3,6,7,8) |
| InChI Key | AVBUIQHERMBOSR-UHFFFAOYSA-N |
| MDL Number | MFCD24201305 |
| Molecular Formula | C3H6F2N2S |
| Molecular Weight | 140.1549 |
| SMILES | NC(NCC(F)F)=S |
| Synonyms | (2,2-difluoroethyl)thiourea,
1274792-12-9,
ZINC147556949,
|
| Complexity | 85.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.152g/mol |
| Monoisotopic Mass | 140.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number