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195503-40-3 | Tetrahydro-2H-thiopyran-4-carbonitrile
CAS No: 195503-40-3 Catalog No: AG003UP8 MDL No:MFCD09025909
Product Description
Catalog Number:
AG003UP8
Chemical Name:
Tetrahydro-2H-thiopyran-4-carbonitrile
CAS Number:
195503-40-3
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
MDL Number:
MFCD09025909
IUPAC Name:
thiane-4-carbonitrile
InChI:
InChI=1S/C6H9NS/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
InChI Key:
DQKVZWAEWJUKAX-UHFFFAOYSA-N
SMILES:
N#CC1CCSCC1
Properties
Complexity:
107
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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