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88065-28-5 | 3-Hexanol, 2,5-dimethyl-4,4-bis(phenylthio)-
CAS No: 88065-28-5 Catalog No: AG004KRO MDL No:
Product Description
Catalog Number:
AG004KRO
Chemical Name:
3-Hexanol, 2,5-dimethyl-4,4-bis(phenylthio)-
CAS Number:
88065-28-5
Molecular Formula:
C20H26OS2
Molecular Weight:
346.5498
IUPAC Name:
2,5-dimethyl-4,4-bis(phenylsulfanyl)hexan-3-ol
InChI:
InChI=1S/C20H26OS2/c1-15(2)19(21)20(16(3)4,22-17-11-7-5-8-12-17)23-18-13-9-6-10-14-18/h5-16,19,21H,1-4H3
InChI Key:
CTKYUXTVVGCISY-UHFFFAOYSA-N
SMILES:
CC(C(C(C(C)C)(Sc1ccccc1)Sc1ccccc1)O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.547g/mol
Monoisotopic Mass:
346.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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