5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-4-isopropyl-4H-1,2,4-triazole-3-thiol
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Basic information
- CAS
344272-66-8- Standard SMILES
CC(C)n1c(CSCc2ccc(Cl)cc2Cl)n[nH]c1=S- InChIKey
HOVAMNOLUNEIKI-UHFFFAOYSA-N- Molecular formula
- C13H15Cl2N3S2
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 347.0084452
Overview
3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione is a dichlorobenzene.
Names & identifiers
- Preferred name
- 5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-4-isopropyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-[(2,4-dichlorophenyl)methylsulfanylmethyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione
- English name
- 5-([(2,4-DICHLOROBENZYL)SULFANYL]METHYL)-4-ISOPROPYL-4H-1,2,4-TRIAZOLE-3-THIOL
- Molecular formula
- C13H15Cl2N3S2
- Molecular weight
- 348.31
Names & synonyms
344272-66-85-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-4-isopropyl-4H-1,2,4-triazole-3-thiolMFCD002444563-[(2,4-dichlorophenyl)methylsulfanylmethyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione5-{[(2,4-Dichlorobenzyl)sulfanyl]methyl}-4- isopropyl-4H-1,2,4-triazole-3-thiol5-({[(2,4-dichlorophenyl)methyl]sulfanyl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiolMLS000763772C13H15Cl2N3S2CHEMBL1462444CHEBI:121025HMS2658C18AKOS005071052
Show more names
5-([(2,4-DICHLOROBENZYL)SULFANYL]METHYL)-4-ISOPROPYL-4H-1,2,4-TRIAZOLE-3-THIOL5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-4-isopropyl-4H-1,2,4-triazol-3-ylhydrosulfide3H-1,2,4-Triazole-3-thione, 5-[[[(2,4-dichlorophenyl)methyl]thio]methyl]-2,4-dihydro-4-(1-methylethyl)-
7H-495SSMR000334120Q272092633-[(2,4-dichlorophenyl)methylsulfanylmethyl]-4-isopropyl-1H-1,2,4-triazole-5-thione3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione5-(((2,4-Dichlorobenzyl)thio)methyl)-4-isopropyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 137 · 137-140°C
- 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
Chemistry & industry
Additional notes
DefinitionChEBI: 3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione is a dichlorobenzene.
Related reactions
0 records
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Compound notes
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