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1541-10-2 | 2,4,6-TRIMETHYLTHIOPHENOL
CAS No: 1541-10-2 Catalog No: AG003FNY MDL No:MFCD00218475
Product Description
Catalog Number:
AG003FNY
Chemical Name:
2,4,6-TRIMETHYLTHIOPHENOL
CAS Number:
1541-10-2
Molecular Formula:
C9H12S
Molecular Weight:
152.2566
MDL Number:
MFCD00218475
IUPAC Name:
2,4,6-trimethylbenzenethiol
InChI:
InChI=1S/C9H12S/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChI Key:
PKANQZUPJCMBAK-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)S
Properties
Complexity:
99.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.066g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.255g/mol
Monoisotopic Mass:
152.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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