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94435-76-4 | Benzene, 1-(dodecylthio)-4-methyl-
CAS No: 94435-76-4 Catalog No: AG006B2I MDL No:
Product Description
Catalog Number:
AG006B2I
Chemical Name:
Benzene, 1-(dodecylthio)-4-methyl-
CAS Number:
94435-76-4
Molecular Formula:
C19H32S
Molecular Weight:
292.5224
IUPAC Name:
1-dodecylsulfanyl-4-methylbenzene
InChI:
InChI=1S/C19H32S/c1-3-4-5-6-7-8-9-10-11-12-17-20-19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3
InChI Key:
CGDNRSDLJCRODC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSc1ccc(cc1)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.222g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.525g/mol
Monoisotopic Mass:
292.222g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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