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Home > Sulfanilamide > 3313-26-6
3313-26-6 | (9Z)-N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-9H-thioxanthene-2-sulfonamide
CAS No: 3313-26-6 Catalog No: AG003ASQ MDL No:
Product Description
Catalog Number:
AG003ASQ
Chemical Name:
(9Z)-N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-9H-thioxanthene-2-sulfonamide
CAS Number:
3313-26-6
Molecular Formula:
C23H29N3O2S2
Molecular Weight:
443.6253
IUPAC Name:
(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
InChI:
InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
InChI Key:
GFBKORZTTCHDGY-UWVJOHFNSA-N
SMILES:
CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C
EC Number:
227-001-0
UNII:
7318FJ13YJ
RTECS Number:
XO1400000
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
443.17g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.624g/mol
Monoisotopic Mass:
443.17g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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