| CAS Number | 56546-90-8 |
| Catalog Number | AG01C1OT |
| Chemical Name | Azetidine-1-carbothioamide |
| IUPAC Name | azetidine-1-carbothioamide |
| InChI | InChI=1S/C4H8N2S/c5-4(7)6-2-1-3-6/h1-3H2,(H2,5,7) |
| InChI Key | TVXXEYSOBIMTAB-UHFFFAOYSA-N |
| MDL Number | MFCD19215549 |
| Molecular Formula | C4H8N2S |
| Molecular Weight | 116.1847 |
| SMILES | NC(N1CCC1)=S |
| Synonyms | 1-azetidinecarbothioamide,
azetidine-1-carbothioamide,
56546-90-8,
SCHEMBL1640600,
SCHEMBL18654409,
TVXXEYSOBIMTAB-UHFFFAOYSA-N,
ZINC59646545,
AKOS006352786,
FT-0768551,
|
| Complexity | 87.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.182g/mol |
| Monoisotopic Mass | 116.041g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number