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126174-81-0 | 2H-Benzimidazole-2-thione, 1,3-dihydro-5-iodo-
CAS No: 126174-81-0 Catalog No: AG000RZC MDL No:MFCD06659715
Product Description
Catalog Number:
AG000RZC
Chemical Name:
2H-Benzimidazole-2-thione, 1,3-dihydro-5-iodo-
CAS Number:
126174-81-0
Molecular Formula:
C7H5IN2S
Molecular Weight:
276.0975
MDL Number:
MFCD06659715
IUPAC Name:
5-iodo-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C7H5IN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChI Key:
RXNKOALQKCIADI-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)[nH]c(=S)[nH]2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.922g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.095g/mol
Monoisotopic Mass:
275.922g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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