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88661-35-2 | Phenol, 2-mercapto-4-(phenylmethyl)-
CAS No: 88661-35-2 Catalog No: AG0047PC MDL No:
Product Description
Catalog Number:
AG0047PC
Chemical Name:
Phenol, 2-mercapto-4-(phenylmethyl)-
CAS Number:
88661-35-2
Molecular Formula:
C13H12OS
Molecular Weight:
216.2988
IUPAC Name:
4-benzyl-2-sulfanylphenol
InChI:
InChI=1S/C13H12OS/c14-12-7-6-11(9-13(12)15)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2
InChI Key:
OMPXSDAYIXVOJZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1S)Cc1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.298g/mol
Monoisotopic Mass:
216.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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