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123914-19-2 | 1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-
CAS No: 123914-19-2 Catalog No: AG000L7T MDL No:
Product Description
Catalog Number:
AG000L7T
Chemical Name:
1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-
CAS Number:
123914-19-2
Molecular Formula:
C11H13N3O2S2
Molecular Weight:
283.3698
IUPAC Name:
N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide
InChI:
InChI=1S/C11H13N3O2S2/c1-13(2)18(15,16)14-9-8-12-11(14)17-10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
WQLMJGKGGPPUHK-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)n1ccnc1Sc1ccccc1)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.364g/mol
Monoisotopic Mass:
283.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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