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47623-20-1 | 9H-Thioxanthene-2-sulfonamide,N,N-dimethyl-9-[3-(1-piperazinyl)propylidene]-, (E)- (9CI)
CAS No: 47623-20-1 Catalog No: AG006ZWK MDL No:
Product Description
Catalog Number:
AG006ZWK
Chemical Name:
9H-Thioxanthene-2-sulfonamide,N,N-dimethyl-9-[3-(1-piperazinyl)propylidene]-, (E)- (9CI)
CAS Number:
47623-20-1
Molecular Formula:
C22H27N3O2S2
Molecular Weight:
429.5987
IUPAC Name:
N,N-dimethyl-9-(3-piperazin-1-ylpropylidene)thioxanthene-2-sulfonamide
InChI:
InChI=1S/C22H27N3O2S2/c1-24(2)29(26,27)17-9-10-22-20(16-17)18(19-6-3-4-8-21(19)28-22)7-5-13-25-14-11-23-12-15-25/h3-4,6-10,16,23H,5,11-15H2,1-2H3
InChI Key:
NIOGWJDNUIUWFG-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)c1ccc2c(c1)/C(=C/CCN1CCNCC1)/c1c(S2)cccc1)C
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.154g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.597g/mol
Monoisotopic Mass:
429.154g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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