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14668-28-1 | Propanenitrile, 2-methyl-2-(methylsulfinyl)-
CAS No: 14668-28-1 Catalog No: AG001E7X MDL No:
Product Description
Catalog Number:
AG001E7X
Chemical Name:
Propanenitrile, 2-methyl-2-(methylsulfinyl)-
CAS Number:
14668-28-1
Molecular Formula:
C5H9NOS
Molecular Weight:
131.1961
IUPAC Name:
2-methyl-2-methylsulfinylpropanenitrile
InChI:
InChI=1S/C5H9NOS/c1-5(2,4-6)8(3)7/h1-3H3
InChI Key:
YZZXHIULTSZKHA-UHFFFAOYSA-N
SMILES:
N#CC(S(=O)C)(C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.04g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.193g/mol
Monoisotopic Mass:
131.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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