1,3-Bis(carbamoylsulfanyl)propan-2-yl-dimethylazanium;chloride
Basic information
- CAS
15263-52-2- Standard SMILES
C[NH+](C)C(CSC(N)=O)CSC(N)=O.[Cl-]- InChIKey
MSHXTAQSSIEBQS-UHFFFAOYSA-N- Molecular formula
- C7H16ClN3O2S2
- Average molar mass
- 273.8 g/mol
- Monoisotopic mass
- 273.0372468
Overview
See also: Cartap hydrochloride (preferred).
Names & identifiers
- Preferred name
- 1,3-Bis(carbamoylsulfanyl)propan-2-yl-dimethylazanium;chloride
- IUPAC
- 1,3-bis(carbamoylsulfanyl)propan-2-yl-dimethylazanium chloride
- English name
- Cartap hydrochloride
- Molecular formula
- C7H16ClN3O2S2
- Molecular weight
- 273.79
Names & synonyms
Q50470571,3-bis(carbamoylsulfanyl)propan-2-yl-dimethylazanium;chloridentd2patapCadanCartaPadankartapCardanpadan4gCartappvegetox
Database identifiers
- CAS
15263-52-2- PubChem CID
- 27158
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Density
- 1.4008 · 1.4008 (rough estimate)
- vapor pressure
- Negligible
- refractive index
- 1.61 · 1.6100 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 7.61 · 7.61 (base)
- Water Solubility
- 200 g · ca. 200 g l-1 (20 °C, pH 5)
- form
- Solid
- BRN
- 5157539 · 5157539
- Major Application
- agricultureenvironmental
- InChI
- 1S/C7H15N3O2S2.ClH/c1-10(2)5(3-13-6(8)11)4-14-7(9)12;/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12);1H
- InChIKey
- MSHXTAQSSIEBQS-UHFFFAOYSA-N
- SMILES
- Cl[H].CN(C)C(CSC(N)=O)CSC(N)=O
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 R06728 · IWO0R06728
- EPA Substance Registry System
- Carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester, monohydrochloride (15263-52-2)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- FD1225000
- ridadr
- 2771
- Toxicity
- LD50 oral in rat: 250mg/kg
- risk_code
- 21/22-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- Xn;N,N,Xn
- safety_code
- 2-36/37-60-61
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H312-H410
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P264-P270-P273-P280-P301+P310-P302+P352+P312
Chemistry & industry
Applications
DescriptionCartap is a largely obsolete insecticide. It is highly soluble in water, has a low volatility and tends not to persist in soil systems. There are data gaps regarding its human health effects but is known to be moderately toxic. There are also data gaps regarding its ecotoxicity but is highly toxic to aquatic vertebrates and moderately toxic to fish.
UsesCartap hydrochloride is used to control sucking and chewing insects (particularly Lepidoptera and Coleoptera), at almost all stages of development, on many crops including rice, potatoes, cabbage and other vegetables. It is also used on soya, peanuts, sunflower, maize, sugar beet, wheat, pearl barley, pome, stone and citrus fruit, vines, tea, chestnuts, ginger, cotton and sugar cane.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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