Free Chemical Databases
-
[Synonyms]
NSC39170
50382-35-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 152.21682 [g/mol] Molecular Formula C7H8N2S XLogP 0.2 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 1 Exact Mass 152.040819 MonoIsotopic Mass 152.040819 Topological Polar Surface Area 36.7 Heavy Atom Count 10 Formal Charge 0 Complexity 160 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetonitrile
Canonical SMILES: CC1=C(SC(=N1)C)CC#N
InChI: InChI=1/C7H8N2S/c1-5-7(3-4-8)10-6(2)9-5/h3H2,1-2H3
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