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475997-95-6 | 1-(3,5-Dimethylphenyl)-1H-imidazole-2-thiol
CAS No: 475997-95-6 Catalog No: AG019NUC MDL No:MFCD06378222
Product Description
Catalog Number:
AG019NUC
Chemical Name:
1-(3,5-Dimethylphenyl)-1H-imidazole-2-thiol
CAS Number:
475997-95-6
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
MDL Number:
MFCD06378222
IUPAC Name:
3-(3,5-dimethylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C11H12N2S/c1-8-5-9(2)7-10(6-8)13-4-3-12-11(13)14/h3-7H,1-2H3,(H,12,14)
InChI Key:
KSNYAJMBIWXLIT-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)n1ccnc1S
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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