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89113-72-4 | Benzene, [(1-methyl-4-pentenyl)thio]-
CAS No: 89113-72-4 Catalog No: AG003ZR9 MDL No:
Product Description
Catalog Number:
AG003ZR9
Chemical Name:
Benzene, [(1-methyl-4-pentenyl)thio]-
CAS Number:
89113-72-4
Molecular Formula:
C12H16S
Molecular Weight:
192.3204
IUPAC Name:
hex-5-en-2-ylsulfanylbenzene
InChI:
InChI=1S/C12H16S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3,5-7,9-11H,1,4,8H2,2H3
InChI Key:
ALLXBIKKJGAXFX-UHFFFAOYSA-N
SMILES:
C=CCCC(Sc1ccccc1)C
Properties
Complexity:
136
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:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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