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102273-81-4 | Phenol, 4-[[(4-methylphenyl)methyl]thio]-
CAS No: 102273-81-4 Catalog No: AG00072S MDL No:
Product Description
Catalog Number:
AG00072S
Chemical Name:
Phenol, 4-[[(4-methylphenyl)methyl]thio]-
CAS Number:
102273-81-4
Molecular Formula:
C14H14OS
Molecular Weight:
230.3254
IUPAC Name:
4-[(4-methylphenyl)methylsulfanyl]phenol
InChI:
InChI=1S/C14H14OS/c1-11-2-4-12(5-3-11)10-16-14-8-6-13(15)7-9-14/h2-9,15H,10H2,1H3
InChI Key:
FICVPIWPALZJSR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CSc1ccc(cc1)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.325g/mol
Monoisotopic Mass:
230.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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