Home Nitriles 2H-Thiopyran-2-carbonitrile, tetrahydro-

2H-Thiopyran-2-carbonitrile, tetrahydro-

CAS No.:
146428-12-8
Catalog Number:
AG001E07
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
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Product Description
Catalog Number:
AG001E07
Chemical Name:
2H-Thiopyran-2-carbonitrile, tetrahydro-
CAS Number:
146428-12-8
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
MDL Number:
MFCD23942399
IUPAC Name:
thiane-2-carbonitrile
InChI:
InChI=1S/C6H9NS/c7-5-6-3-1-2-4-8-6/h6H,1-4H2
InChI Key:
ZUBIQKKIDXWWHU-UHFFFAOYSA-N
SMILES:
N#CC1CCCCS1
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.046g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.205g/mol
Monoisotopic Mass:
127.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties