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Home > Imidazoles > 92590-01-7
92590-01-7 | 1H-Benzimidazole, 2-[(4-thiazolylmethyl)thio]-
CAS No: 92590-01-7 Catalog No: AG006GMG MDL No:
Product Description
Catalog Number:
AG006GMG
Chemical Name:
1H-Benzimidazole, 2-[(4-thiazolylmethyl)thio]-
CAS Number:
92590-01-7
Molecular Formula:
C11H9N3S2
Molecular Weight:
247.3393
IUPAC Name:
4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole
InChI:
InChI=1S/C11H9N3S2/c1-2-4-10-9(3-1)13-11(14-10)16-6-8-5-15-7-12-8/h1-5,7H,6H2,(H,13,14)
InChI Key:
GQTBJJZJMACYFC-UHFFFAOYSA-N
SMILES:
c1scc(n1)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.334g/mol
Monoisotopic Mass:
247.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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