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Home Sulfos Benzenesulfonothioic acid, S1,S1'-[2-(dimethylamino)-1,3-propanediyl] ester

Benzenesulfonothioic acid, S1,S1'-[2-(dimethylamino)-1,3-propanediyl] ester

CAS No.:
17606-31-4
Catalog Number:
AG0021FA
Molecular Formula:
C17H21NO4S4
Molecular Weight:
431.6129
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Product Description
Catalog Number:
AG0021FA
Chemical Name:
Benzenesulfonothioic acid, S1,S1'-[2-(dimethylamino)-1,3-propanediyl] ester
CAS Number:
17606-31-4
Molecular Formula:
C17H21NO4S4
Molecular Weight:
431.6129
MDL Number:
MFCD00210246
IUPAC Name:
1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine
InChI:
InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChI Key:
YFXPPSKYMBTNAV-UHFFFAOYSA-N
SMILES:
CN(C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1)C
EC Number:
605-769-1
UNII:
145Q2E77PJ
Properties
Complexity:
558  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.035g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.598g/mol
Monoisotopic Mass:
431.035g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Cartap hydrochloride poisoning: A clinical experience. Indian journal of critical care medicine : peer-reviewed, official publication of Indian Society of Critical Care Medicine 20120101
Impact of insecticides on parasitoids of the leafminer, Liriomyza trifolii, in pepper in south Texas. Journal of insect science (Online) 20110101
[Detection of bancol for the purpose of forensic chemical expertise]. Sudebno-meditsinskaia ekspertiza 20100101
[Detection of bensultap (bancol) derivatives and metabolites by chromatographic methods]. Sudebno-meditsinskaia ekspertiza 20090101
Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin. Invertebrate neuroscience : IN 20080601
Bensultap decreases neuronal excitability in molluscan and mammalian central nervous system. Toxicology in vitro : an international journal published in association with BIBRA 20070901
Transient alterations in neuronal and behavioral activity following bensultap and fipronil treatment in rats. Toxicology 20051015
Toxicity of three insecticides in a standard algal growth inhibition test with Scenedesmus subspicatus. Bulletin of environmental contamination and toxicology 20050601
Effect of pesticides on kynurenic acid production in rat brain slices. Annals of agricultural and environmental medicine : AAEM 20050101
Properties