| CAS Number | 1934389-94-2 |
| Catalog Number | AG01BC5G |
| Chemical Name | 2-[(1-Oxo-1lambda6-thiolan-1-ylidene)amino]acetonitrile |
| IUPAC Name | 2-[(1-oxothiolan-1-ylidene)amino]acetonitrile |
| InChI | InChI=1S/C6H10N2OS/c7-3-4-8-10(9)5-1-2-6-10/h1-2,4-6H2 |
| InChI Key | PMCAALXWRQCXMF-UHFFFAOYSA-N |
| MDL Number | MFCD29060247 |
| Molecular Formula | C6H10N2OS |
| Molecular Weight | 158.2214 |
| SMILES | O=S1(CCCC1)=NCC#N |
| Synonyms | 1934389-94-2,
2-[(1-oxo-1lambda6-thiolan-1-ylidene)amino]acetonitrile,
ZINC299805471,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.219g/mol |
| Monoisotopic Mass | 158.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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