Basic information
- CAS
17606-31-4- Standard SMILES
CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1- InChIKey
YFXPPSKYMBTNAV-UHFFFAOYSA-N- Molecular formula
- C17H21NO4S4
- Average molar mass
- 431.6 g/mol
- Monoisotopic mass
- 431.03534285
Overview
Bensultap is a nereistoxin analogue insecticide.
Names & identifiers
- Preferred name
- Bensultap
- IUPAC
- 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine
- English name
- Bensultap
- Molecular formula
- C17H21NO4S4
- Molecular weight
- 431.61
Names & synonyms
Bensultap17606-31-4Nereistoxin dibenzenesulfonateS,S'-2-Dimethylaminotrimethylene di(benzenethiosulfonate)S,S'-2-Dimethylaminotrimethylene di(benzenethiosulphonate)S,S'-(2-(Dimethylamino)trimethylene)bis(benzenethiosulfonate)Thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester145Q2E77PJDTXSID6058001CHEBI:39188S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioateS,S'-(2-(dimethylamino)propane-1,3-diyl) dibenzenesulfonothioate
Show more names
ti-78TI-167Iti-1671BANCOL(R)zz-doricide
RefChem:561259DTXCID5031769605-769-1VictenonBancolRuban1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amineZZ-Doricida
Database identifiers
- CAS
17606-31-4
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 558
Experimental & physicochemical properties
Pesticides
Insecticides
Active substance -> EU Pesticides database: Not approved
LogP3.36
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 82 · 82~85℃
- Boiling point
- 150 ℃ · 150℃ (dec)
- Density
- 1.3423 · 1.3423 (rough estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
- storage temp.
- 0 · 0-6°C
- pka
- 6.85 · 6.85±0.50(Predicted)
- CAS DataBase Reference
- 17606 · 17606-31-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 145 Q2E77PJ · 145Q2E77PJ
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- rtecs
- DB8000000
- ridadr
- UN3077 9/PG 3
- hs_code
- 29309090
- Toxicity
- LD50 oral in rat: 1105mg/kg
- risk_code
- 22-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 60-61
- Hazard statements
- H302-H410
- Precautionary statements
- P273-P501
Chemistry & industry
Applications
DescriptionBensultap, S,S -2-dimethylaminotrimethylene di(benzenethiosulfonate) (IUPAC), M.W. 431.6, C17H21NO4S4, pale yellow crystalline powder. Solubility in water 0.7–0.8 mg/kg (30 C). Solubility in methanol 25 g/kg (25 C), in acetone, acetonitrile, and N,Ndimethyl formamide >1000 g/kg. Hydrolyzed in neutral or alkaline solution. It is an insecticide with contact and stomach action for control of major insect pests. Acts as a pro-insecticide or analog of nereistoxin. It inhibits the action of acetylcholine by blocking the receptor site at the post-synaptic membrane.
UsesBensultap is an insecticide used in pesticidal compositions.
Upstream & downstream products
Upstream raw materials
Suppliers38 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
4 records
Compound notes
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