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89171-57-3 | 2-Hexen-1-ol, 3-[methoxy(phenylthio)methyl]-6-(phenylthio)-, (E)-
CAS No: 89171-57-3 Catalog No: AG003WLS MDL No:
Product Description
Catalog Number:
AG003WLS
Chemical Name:
2-Hexen-1-ol, 3-[methoxy(phenylthio)methyl]-6-(phenylthio)-, (E)-
CAS Number:
89171-57-3
Molecular Formula:
C20H24O2S2
Molecular Weight:
360.5334
IUPAC Name:
3-[methoxy(phenylsulfanyl)methyl]-6-phenylsulfanylhex-2-en-1-ol
InChI:
InChI=1S/C20H24O2S2/c1-22-20(24-19-12-6-3-7-13-19)17(14-15-21)9-8-16-23-18-10-4-2-5-11-18/h2-7,10-14,20-21H,8-9,15-16H2,1H3
InChI Key:
PLBLVNCMSOCPJC-UHFFFAOYSA-N
SMILES:
OC/C=C(/C(Sc1ccccc1)OC)\CCCSc1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.53g/mol
Monoisotopic Mass:
360.122g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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