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89621-96-5 | Benzene, [[[3-(cyclohexylsulfinyl)propyl]thio]methyl]-
CAS No: 89621-96-5 Catalog No: AG003X8W MDL No:
Product Description
Catalog Number:
AG003X8W
Chemical Name:
Benzene, [[[3-(cyclohexylsulfinyl)propyl]thio]methyl]-
CAS Number:
89621-96-5
Molecular Formula:
C16H24OS2
Molecular Weight:
296.4912
IUPAC Name:
3-cyclohexylsulfinylpropylsulfanylmethylbenzene
InChI:
InChI=1S/C16H24OS2/c17-19(16-10-5-2-6-11-16)13-7-12-18-14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2
InChI Key:
GSUWUOSBFVHWTJ-UHFFFAOYSA-N
SMILES:
O=S(C1CCCCC1)CCCSCc1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.487g/mol
Monoisotopic Mass:
296.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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