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142313-30-2 | 6-CHLORO-5-FLUOROBENZIMIDAZOLE-2-THIOL
CAS No: 142313-30-2 Catalog No: AG003N60 MDL No:MFCD00052490
Product Description
Catalog Number:
AG003N60
Chemical Name:
6-CHLORO-5-FLUOROBENZIMIDAZOLE-2-THIOL
CAS Number:
142313-30-2
Molecular Formula:
C7H4ClFN2S
Molecular Weight:
202.6365
MDL Number:
MFCD00052490
IUPAC Name:
5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C7H4ClFN2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChI Key:
DQXCFZSRGLNXKW-UHFFFAOYSA-N
SMILES:
Sc1[nH]c2c(n1)cc(c(c2)F)Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.977g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.631g/mol
Monoisotopic Mass:
201.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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