Home Nitriles Thietane-3-carbonitrile

Thietane-3-carbonitrile

CAS No.:
1337882-54-8
Catalog Number:
AG009DF9
Molecular Formula:
C4H5NS
Molecular Weight:
99.1542
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Product Description
Catalog Number:
AG009DF9
Chemical Name:
Thietane-3-carbonitrile
CAS Number:
1337882-54-8
Molecular Formula:
C4H5NS
Molecular Weight:
99.1542
MDL Number:
MFCD19982302
IUPAC Name:
thietane-3-carbonitrile
InChI:
InChI=1S/C4H5NS/c5-1-4-2-6-3-4/h4H,2-3H2
InChI Key:
XRMUCNDIBWGVPF-UHFFFAOYSA-N
SMILES:
N#CC1CSC1
Properties
Complexity:
87  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.014g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.151g/mol
Monoisotopic Mass:
99.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties