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43132-86-1 | 4-Mercapto-2,6-dimethylphenol
CAS No: 43132-86-1 Catalog No: AG003TOA MDL No:
Product Description
Catalog Number:
AG003TOA
Chemical Name:
4-Mercapto-2,6-dimethylphenol
CAS Number:
43132-86-1
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
IUPAC Name:
2,6-dimethyl-4-sulfanylphenol
InChI:
InChI=1S/C8H10OS/c1-5-3-7(10)4-6(2)8(5)9/h3-4,9-10H,1-2H3
InChI Key:
IEQAUACQFUWVAH-UHFFFAOYSA-N
SMILES:
Sc1cc(C)c(c(c1)C)O
Properties
Complexity:
104
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:
2
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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