| CAS Number | 32418-98-7 |
| Catalog Number | AG019LF8(AGN-PC-00UYH5) |
| Chemical Name | 3-aminotetrahydrothiophene-3-carbonitrile |
| IUPAC Name | 3-aminothiolane-3-carbonitrile |
| InChI | InChI=1S/C5H8N2S/c6-3-5(7)1-2-8-4-5/h1-2,4,7H2 |
| InChI Key | QCTFJYRKJWUANN-UHFFFAOYSA-N |
| MDL Number | MFCD09040667 |
| Molecular Formula | C5H8N2S |
| Molecular Weight | 128.1954 |
| SMILES | NC1(C#N)CSCC1 |
| Synonyms | 3-aminotetrahydrothiophene-3-carbonitrile,
3-aminothiolane-3-carbonitrile,
32418-98-7,
3-Thiophenecarbonitrile, 3-aminotetrahydro-,
AC1Q50GV,
SCHEMBL6765230,
CTK7C5779,
MFCD09040667,
AKOS000126830,
AKOS016901188,
MCULE-3523380904,
NE53704,
BS-12205,
FT-0753924,
EN300-31047,
Z431531602,
3-aminotetrahydro-3-Thiophenecarbonitrile,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.193g/mol |
| Monoisotopic Mass | 128.041g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number