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137298-79-4 | Benzene, [[(1E)-1-ethyl-1-buten-1-yl]thio]-
CAS No: 137298-79-4 Catalog No: AG00132H MDL No:
Product Description
Catalog Number:
AG00132H
Chemical Name:
Benzene, [[(1E)-1-ethyl-1-buten-1-yl]thio]-
CAS Number:
137298-79-4
Molecular Formula:
C12H16S
Molecular Weight:
192.3204
IUPAC Name:
hex-3-en-3-ylsulfanylbenzene
InChI:
InChI=1S/C12H16S/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h5-10H,3-4H2,1-2H3
InChI Key:
DAAIXLZABYHGPO-UHFFFAOYSA-N
SMILES:
CC/C(=C\CC)/Sc1ccccc1
Properties
Complexity:
155
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:
1
XLogP3:
4.4
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