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Home > Imidazoles > 29490-12-8
29490-12-8 | 1H-Benzimidazole-6-sulfonic acid, 2-[[2-(ethylthio)ethyl]thio]-
CAS No: 29490-12-8 Catalog No: AG002YKG MDL No:
Product Description
Catalog Number:
AG002YKG
Chemical Name:
1H-Benzimidazole-6-sulfonic acid, 2-[[2-(ethylthio)ethyl]thio]-
CAS Number:
29490-12-8
Molecular Formula:
C11H14N2O3S3
Molecular Weight:
318.4355
IUPAC Name:
2-(2-ethylsulfanylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid
InChI:
InChI=1S/C11H14N2O3S3/c1-2-17-5-6-18-11-12-9-4-3-8(19(14,15)16)7-10(9)13-11/h3-4,7H,2,5-6H2,1H3,(H,12,13)(H,14,15,16)
InChI Key:
UJPJKGTWFDTGSN-UHFFFAOYSA-N
SMILES:
CCSCCSc1nc2c([nH]1)cc(cc2)S(=O)(=O)O
EC Number:
249-666-6
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.424g/mol
Monoisotopic Mass:
318.017g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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