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Home > Imidazoles > 81291-85-2
81291-85-2 | 1-METHYL-4-TOSYLIMIDAZOLE-5-THIOL
CAS No: 81291-85-2 Catalog No: AG005AY3 MDL No:
Product Description
Catalog Number:
AG005AY3
Chemical Name:
1-METHYL-4-TOSYLIMIDAZOLE-5-THIOL
CAS Number:
81291-85-2
Molecular Formula:
C11H12N2O2S2
Molecular Weight:
268.3552
IUPAC Name:
3-methyl-5-(4-methylphenyl)sulfonylimidazole-4-thiol
InChI:
InChI=1S/C11H12N2O2S2/c1-8-3-5-9(6-4-8)17(14,15)10-11(16)13(2)7-12-10/h3-7,16H,1-2H3
InChI Key:
AUJPUQNFDWBFBD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1ncn(c1S)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.349g/mol
Monoisotopic Mass:
268.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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