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114687-64-8 | Phenol, 2-mercapto-4-methyl-6-(1-phenylethyl)-
CAS No: 114687-64-8 Catalog No: AG000F1H MDL No:
Product Description
Catalog Number:
AG000F1H
Chemical Name:
Phenol, 2-mercapto-4-methyl-6-(1-phenylethyl)-
CAS Number:
114687-64-8
Molecular Formula:
C15H16OS
Molecular Weight:
244.3519
IUPAC Name:
4-methyl-2-(1-phenylethyl)-6-sulfanylphenol
InChI:
InChI=1S/C15H16OS/c1-10-8-13(15(16)14(17)9-10)11(2)12-6-4-3-5-7-12/h3-9,11,16-17H,1-2H3
InChI Key:
AQGSQKHTADCMCD-UHFFFAOYSA-N
SMILES:
Cc1cc(C(c2ccccc2)C)c(c(c1)S)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.352g/mol
Monoisotopic Mass:
244.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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