| CAS Number | 1337882-54-8 |
| Catalog Number | AG009DF9 |
| Chemical Name | Thietane-3-carbonitrile |
| IUPAC Name | thietane-3-carbonitrile |
| InChI | InChI=1S/C4H5NS/c5-1-4-2-6-3-4/h4H,2-3H2 |
| InChI Key | XRMUCNDIBWGVPF-UHFFFAOYSA-N |
| MDL Number | MFCD19982302 |
| Molecular Formula | C4H5NS |
| Molecular Weight | 99.1542 |
| SMILES | N#CC1CSC1 |
| Synonyms | thietane-3-carbonitrile,
1337882-54-8,
ZINC71788843,
AKOS023656439,
|
| Complexity | 87 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 99.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 99.151g/mol |
| Monoisotopic Mass | 99.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number