Home Nitriles 3-oxo-3-(thiomorpholin-4-yl)propanenitrile

3-oxo-3-(thiomorpholin-4-yl)propanenitrile

CAS No.:
15029-33-1
Catalog Number:
AG01AHO8
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
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Product Description
Catalog Number:
AG01AHO8
Chemical Name:
3-oxo-3-(thiomorpholin-4-yl)propanenitrile
CAS Number:
15029-33-1
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
MDL Number:
MFCD00276561
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
SMILES:
N#CCC(=O)N1CCSCC1
Properties
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
Properties