2-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-1H-indole-3-carbaldehyde
Basic information
- CAS
338416-35-6- Standard SMILES
Cn1c(Sc2c(Cl)cccc2Cl)c(C=O)c2ccccc21- InChIKey
IKLBAQSRPAYWPC-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2NOS
- Average molar mass
- 336.2 g/mol
Names & identifiers
- Preferred name
- 2-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-1H-indole-3-carbaldehyde
- IUPAC
- 2-(2,6-dichlorophenyl)sulfanyl-1-methylindole-3-carbaldehyde
- English name
- 2-[(2,6-Dichlorophenyl)sulfanyl]-1-methyl-1H-indole-3-carbaldehyde
- Molecular formula
- C16H11Cl2NOS
- Molecular weight
- 336.24
Names & synonyms
2-[(2,6-dichlorophenyl)sulfanyl]-1-methyl-1H-indole-3-carbaldehyde338416-35-6MFCD015683452-(2,6-dichlorophenyl)sulfanyl-1-methylindole-3-carbaldehyde2-[(2,6-Dichlorophenyl)sulfanyl]-1-methyl-1H- indole-3-carbaldehydeAKOS0050702693N-317S2-(2,6-dichlorophenyl)sulfanyl-1-methyl-indole-3-carbaldehyde2-((2,6-Dichlorophenyl)thio)-1-methyl-1H-indole-3-carbaldehyde1H-Indole-3-carboxaldehyde, 2-[(2,6-dichlorophenyl)thio]-1-methyl-
Database identifiers
- CAS
338416-35-6
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Melting point
- 186 · 186-190°C
- Boiling point
- 432.1 · 432.1±45.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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