S-Isopropyl N-(3,4-dichlorophenyl)thiolcarbamate
Basic information
- CAS
10129-41-6- Standard SMILES
CC(C)SC(=O)Nc1ccc(Cl)c(Cl)c1- InChIKey
DJVACRBOIDNKHR-UHFFFAOYSA-N- Molecular formula
- C10H11Cl2NOS
- Average molar mass
- 264.17 g/mol
- Monoisotopic mass
- 262.9938405
Names & identifiers
- Preferred name
- S-Isopropyl N-(3,4-dichlorophenyl)thiolcarbamate
- IUPAC
- S-propan-2-yl N-(3,4-dichlorophenyl)carbamothioate
- English name
- S-Isopropyl (3,4-dichlorophenyl)carbaMothioate
- Molecular formula
- C10H11Cl2NOS
- Molecular weight
- 264.17
Names & synonyms
10129-41-6RefChem:884241S-Isopropyl N-(3,4-dichlorophenyl)thiolcarbamate667-415-2(3,4-dichloro-phenyl)-thiocarbamic acid S-isopropyl esterS-propan-2-yl N-(3,4-dichlorophenyl)carbamothioateAKOS024335458S-isopropyl 3,4-dichlorophenylthiocarbamateS-Isopropyl (3,4-dichlorophenyl)carbaMothioateCarbanilic acid, 3,4-dichlorothio-, S-isopropyl ester (6CI,7CI,8CI)
Database identifiers
- CAS
10129-41-6- PubChem CID
- 5220397
- EC Number
- 667-415-2
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 94.5 · 94.5-95 °C(Solv: benzene (71-43-2))
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- pka
- 10.24 · 10.24±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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