Ethiolate
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Basic information
- CAS
2941-55-1- Standard SMILES
CCSC(=O)N(CC)CC- InChIKey
WARIWGPBHKPYON-UHFFFAOYSA-N- Molecular formula
- C7H15NOS
- Average molar mass
- 161.27 g/mol
- Monoisotopic mass
- 161.08743528
Overview
Ethiolate is a tertiary amine.
Names & identifiers
- Preferred name
- Ethiolate
- IUPAC
- S-ethyl N,N-diethylcarbamothioate
- English name
- ETHIOLATE
- Molecular formula
- C7H15NOS
- Molecular weight
- 161.27
Names & synonyms
Ethiolate2941-55-1EtiroxEthiolate [ISO]S-Ethyl N,N-diethylthiocarbamateS-Ethyl diethylthiocarbamateS-ethyl N,N-diethylcarbamothioateS-ETHYL DIETHYLCARBAMOTHIOATECaswell No. 434AACarbamic acid, diethylthio-, S-ethyl esterCarbamothioic acid, diethyl-, S-ethyl esterDTXSID6041925
Show more names
VEERETHIOCHEMITPrefoxETHOSANNILMITES-15076DHANUMITETHIOLAT
UNII-7PT8NM2AQ87PT8NM2AQ8EPA Pesticide Chemical Code 103701BRN 1755151Prefox (Salt/Mix)S 15076S 6176 (Salt/Mix)DTXCID4021925
Database identifiers
- CAS
2941-55-1- PubChem CID
- 18055
- DTXSID
DTXSID6041925- ChEMBL
CHEMBL3186553- ChEBI
CHEBI:82217- UNII
- 7PT8NM2AQ8
- EC Number
- 634-821-6
- Nikkaji
- J7.945F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 215.6 · 215.6±23.0 °C(Predicted)
- Density
- 0.99 g/mL · 0.99 g/mL at 20 °C
- refractive index
- 1.637 · 1.6370 (estimate)
- storage temp.
- 4 °C · APPROX 4°C
- pka
- -1.22 · -1.22±0.70(Predicted)
- BRN
- 1755151 · 1755151
- Major Application
- agricultureenvironmental
- InChI
- 1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
- InChIKey
- WARIWGPBHKPYON-UHFFFAOYSA-N
- SMILES
- CCSC(=O)N(CC)CC
- FDA UNII
- 7 PT8NM2AQ8 · 7PT8NM2AQ8
- EPA Substance Registry System
- Ethiolate (2941-55-1)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- EZ7290000
- ridadr
- 2902
- hs_code
- 29302000
- Toxicity
- rat,LD50,oral,400mg/kg (400mg/kg),Farm Chemicals Handbook. Vol. -, Pg. C247, 1991.
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- 6.1(b)
- Storage Class
- 12 - Non Combustible Liquids
- packing_group
- III
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
UsesS-ethyl Ester N,N-Diethyl-carbamothioic Acid, is a herbiside and also a pesticide that has been found in avocados.
Additional notes
DefinitionChEBI: Ethiolate is a tertiary amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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