Home Nitriles thiolane-3-carbonitrile

thiolane-3-carbonitrile

CAS No.:
874512-52-4
Catalog Number:
AG01BEU2
Molecular Formula:
C5H7NS
Molecular Weight:
113.1808
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Product Description
Catalog Number:
AG01BEU2
Chemical Name:
thiolane-3-carbonitrile
CAS Number:
874512-52-4
Molecular Formula:
C5H7NS
Molecular Weight:
113.1808
MDL Number:
MFCD19597001
IUPAC Name:
thiolane-3-carbonitrile
InChI:
InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h5H,1-2,4H2
InChI Key:
ICQJAZFMAKNNIF-UHFFFAOYSA-N
SMILES:
N#CC1CSCC1
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.03g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.178g/mol
Monoisotopic Mass:
113.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties