| CAS Number | 1154551-45-7 |
| Catalog Number | AG01AA8G(AGN-PC-0WO5K1) |
| Chemical Name | N-cyclopropyl-2-isothiocyanatoacetamide |
| IUPAC Name | N-cyclopropyl-2-isothiocyanatoacetamide |
| InChI | InChI=1S/C6H8N2OS/c9-6(3-7-4-10)8-5-1-2-5/h5H,1-3H2,(H,8,9) |
| InChI Key | JNNSJVHXSSGKAO-UHFFFAOYSA-N |
| MDL Number | MFCD12140335 |
| Molecular Formula | C6H8N2OS |
| Molecular Weight | 156.2055 |
| SMILES | O=C(NC1CC1)CN=C=S |
| Synonyms | N-cyclopropyl-2-isothiocyanatoacetamide,
1154551-45-7,
AC1Q5HEB,
ZINC36782542,
AKOS009587744,
NE61419,
EN300-67447,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.203g/mol |
| Monoisotopic Mass | 156.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number