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85293-39-6 | Benzene, [(octylthio)methyl]-
CAS No: 85293-39-6 Catalog No: AG004PLE MDL No:
Product Description
Catalog Number:
AG004PLE
Chemical Name:
Benzene, [(octylthio)methyl]-
CAS Number:
85293-39-6
Molecular Formula:
C15H24S
Molecular Weight:
236.4161
IUPAC Name:
octylsulfanylmethylbenzene
InChI:
InChI=1S/C15H24S/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChI Key:
IPHOMJBQRWCLAZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCSCc1ccccc1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.16g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.417g/mol
Monoisotopic Mass:
236.16g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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