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168414-96-8 | Phenol, 3,5-bis[(phenylthio)methyl]-
CAS No: 168414-96-8 Catalog No: AG001Y22 MDL No:
Product Description
Catalog Number:
AG001Y22
Chemical Name:
Phenol, 3,5-bis[(phenylthio)methyl]-
CAS Number:
168414-96-8
Molecular Formula:
C20H18OS2
Molecular Weight:
338.4863
IUPAC Name:
3,5-bis(phenylsulfanylmethyl)phenol
InChI:
InChI=1S/C20H18OS2/c21-18-12-16(14-22-19-7-3-1-4-8-19)11-17(13-18)15-23-20-9-5-2-6-10-20/h1-13,21H,14-15H2
InChI Key:
OXVSLSACLOETKF-UHFFFAOYSA-N
SMILES:
Oc1cc(CSc2ccccc2)cc(c1)CSc1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.483g/mol
Monoisotopic Mass:
338.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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