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89005-35-6 | 1,6-Octadien-3-ol, 3,7-dimethyl-1,2-bis(phenylthio)-
CAS No: 89005-35-6 Catalog No: AG004508 MDL No:
Product Description
Catalog Number:
AG004508
Chemical Name:
1,6-Octadien-3-ol, 3,7-dimethyl-1,2-bis(phenylthio)-
CAS Number:
89005-35-6
Molecular Formula:
C22H26OS2
Molecular Weight:
370.5712
IUPAC Name:
3,7-dimethyl-1,2-bis(phenylsulfanyl)octa-1,6-dien-3-ol
InChI:
InChI=1S/C22H26OS2/c1-18(2)11-10-16-22(3,23)21(25-20-14-8-5-9-15-20)17-24-19-12-6-4-7-13-19/h4-9,11-15,17,23H,10,16H2,1-3H3
InChI Key:
CMGJRTLPAJZJTJ-UHFFFAOYSA-N
SMILES:
CC(=CCCC(C(=CSc1ccccc1)Sc1ccccc1)(O)C)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.569g/mol
Monoisotopic Mass:
370.143g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
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