| CAS Number | 145518-36-1 |
| Catalog Number | AG01A9OK(AGN-PC-0N2082) |
| Chemical Name | 2-Isothiocyanatoacetamide |
| IUPAC Name | 2-isothiocyanatoacetamide |
| InChI | InChI=1S/C3H4N2OS/c4-3(6)1-5-2-7/h1H2,(H2,4,6) |
| InChI Key | LXDZRHJIMQYSSD-UHFFFAOYSA-N |
| MDL Number | MFCD11131114 |
| Molecular Formula | C3H4N2OS |
| Molecular Weight | 116.1417 |
| SMILES | NC(CN=C=S)=O |
| Synonyms | 2-isothiocyanatoacetamide,
145518-36-1,
AC1Q4ZNV,
SCHEMBL9706230,
ZINC19840559,
AKOS000212092,
NE59238,
EN300-65677,
CID10290770,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.138g/mol |
| Monoisotopic Mass | 116.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number