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85428-44-0 | Phenol, 4-methyl-3-(methylthio)-
CAS No: 85428-44-0 Catalog No: AG004K96 MDL No:
Product Description
Catalog Number:
AG004K96
Chemical Name:
Phenol, 4-methyl-3-(methylthio)-
CAS Number:
85428-44-0
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
IUPAC Name:
4-methyl-3-methylsulfanylphenol
InChI:
InChI=1S/C8H10OS/c1-6-3-4-7(9)5-8(6)10-2/h3-5,9H,1-2H3
InChI Key:
OYZFFVZQXBXDCT-UHFFFAOYSA-N
SMILES:
CSc1cc(O)ccc1C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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