| CAS Number | 15029-33-1 |
| Catalog Number | AG01AHO8(AGN-PC-0WO7LS) |
| Chemical Name | 3-Oxo-3-(thiomorpholin-4-yl)propanenitrile |
| IUPAC Name | 3-oxo-3-thiomorpholin-4-ylpropanenitrile |
| InChI | InChI=1S/C7H10N2OS/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2 |
| InChI Key | ZRIDVVUGSOESLV-UHFFFAOYSA-N |
| MDL Number | MFCD00276561 |
| Molecular Formula | C7H10N2OS |
| Molecular Weight | 170.2321 |
| SMILES | O=C(N1CCSCC1)CC#N |
| Synonyms | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile,
15029-33-1,
4-cyanoacetyl-thiomorpholine,
Maybridge1_001456,
AC1ME1X9,
HMS545K04,
ZINC90920,
CCG-54381,
AKOS005260300,
MCULE-3113122367,
NE25142,
3-oxo-3-thiomorpholin-4-ylpropanenitrile,
EN300-75312,
SR-01000643482-1,
ZINC00090920,
CID2799272,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.23g/mol |
| Monoisotopic Mass | 170.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number