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88661-02-3 | Benzenemethanol, 3,3'-dithiobis[5-cyclopentyl-2-hydroxy-
CAS No: 88661-02-3 Catalog No: AG0048LA MDL No:
Product Description
Catalog Number:
AG0048LA
Chemical Name:
Benzenemethanol, 3,3'-dithiobis[5-cyclopentyl-2-hydroxy-
CAS Number:
88661-02-3
Molecular Formula:
C24H30O4S2
Molecular Weight:
446.6226
IUPAC Name:
4-cyclopentyl-2-[[5-cyclopentyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol
InChI:
InChI=1S/C24H30O4S2/c25-13-19-9-17(15-5-1-2-6-15)11-21(23(19)27)29-30-22-12-18(16-7-3-4-8-16)10-20(14-26)24(22)28/h9-12,15-16,25-28H,1-8,13-14H2
InChI Key:
ZEGPUTPFNPRCMX-UHFFFAOYSA-N
SMILES:
OCc1cc(cc(c1O)SSc1cc(cc(c1O)CO)C1CCCC1)C1CCCC1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.159g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
446.62g/mol
Monoisotopic Mass:
446.159g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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