Free Chemical Databases
-
[Synonyms]
NSC135399
22103-05-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 150.2407 [g/mol] Molecular Formula C9H10S XLogP 3.4 H-Bond Donor 0 H-Bond Acceptor 0 Rotatable Bond Count 2 Exact Mass 150.050321 MonoIsotopic Mass 150.050321 Topological Polar Surface Area 0 Heavy Atom Count 10 Formal Charge 0 Complexity 101 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: prop-1-enylsulfanylbenzene
Canonical SMILES: CC=CSC1=CC=CC=C1
InChI: InChI=1/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-8H,1H3
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