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94231-61-5 | POTASSIUM 3-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)PROPANESULFONATE
CAS No: 94231-61-5 Catalog No: AG00604S MDL No:
Product Description
Catalog Number:
AG00604S
Chemical Name:
POTASSIUM 3-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)PROPANESULFONATE
CAS Number:
94231-61-5
Molecular Formula:
C10H11KN2O3S2
Molecular Weight:
310.4342
IUPAC Name:
potassium;3-(1H-benzimidazol-2-ylsulfanyl)propane-1-sulfonate
InChI:
InChI=1S/C10H12N2O3S2.K/c13-17(14,15)7-3-6-16-10-11-8-4-1-2-5-9(8)12-10;/h1-2,4-5H,3,6-7H2,(H,11,12)(H,13,14,15);/q;+1/p-1
InChI Key:
UYHSNMZVVUTYKU-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)CCCSc1nc2c([nH]1)cccc2.[K+]
EC Number:
303-880-7
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.985g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.427g/mol
Monoisotopic Mass:
309.985g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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