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203632-83-1 | Benzene, [(4-methyl-3-penten-1-yl)thio]-
CAS No: 203632-83-1 Catalog No: AG00291D MDL No:
Product Description
Catalog Number:
AG00291D
Chemical Name:
Benzene, [(4-methyl-3-penten-1-yl)thio]-
CAS Number:
203632-83-1
Molecular Formula:
C12H16S
Molecular Weight:
192.3204
IUPAC Name:
4-methylpent-3-enylsulfanylbenzene
InChI:
InChI=1S/C12H16S/c1-11(2)7-6-10-13-12-8-4-3-5-9-12/h3-5,7-9H,6,10H2,1-2H3
InChI Key:
YWDRRSHEQGWEBD-UHFFFAOYSA-N
SMILES:
CC(=CCCSc1ccccc1)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.097g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.32g/mol
Monoisotopic Mass:
192.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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