Home Nitriles 1,4-oxathiane-2-carbonitrile

1,4-oxathiane-2-carbonitrile

CAS No.:
1376105-87-1
Catalog Number:
AG019YQ3
Molecular Formula:
C5H7NOS
Molecular Weight:
129.1802
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Product Description
Catalog Number:
AG019YQ3
Chemical Name:
1,4-oxathiane-2-carbonitrile
CAS Number:
1376105-87-1
Molecular Formula:
C5H7NOS
Molecular Weight:
129.1802
MDL Number:
MFCD22196489
IUPAC Name:
1,4-oxathiane-2-carbonitrile
InChI:
InChI=1S/C5H7NOS/c6-3-5-4-8-2-1-7-5/h5H,1-2,4H2
InChI Key:
DLLLXDKYBSOEPT-UHFFFAOYSA-N
SMILES:
C1SCCOC1C#N
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.025g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.177g/mol
Monoisotopic Mass:
129.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties