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30519-03-0 | Phenol, 4-[(phenylmethyl)thio]-
CAS No: 30519-03-0 Catalog No: AG0030ER MDL No:MFCD12819458
Product Description
Catalog Number:
AG0030ER
Chemical Name:
Phenol, 4-[(phenylmethyl)thio]-
CAS Number:
30519-03-0
Molecular Formula:
C13H12OS
Molecular Weight:
216.2988
MDL Number:
MFCD12819458
IUPAC Name:
4-benzylsulfanylphenol
InChI:
InChI=1S/C13H12OS/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChI Key:
UXMOBLWTCSCLLR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)SCc1ccccc1
Properties
Complexity:
169
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:
1
Isotope Atom Count:
0
Molecular Weight:
216.298g/mol
Monoisotopic Mass:
216.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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