5-((4-Chloro-3-methylphenoxy)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
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Basic information
- CAS
491647-37-1- Standard SMILES
CCn1c(COc2ccc(Cl)c(C)c2)n[nH]c1=S- InChIKey
YQKZBPYMQSOTAF-UHFFFAOYSA-N- Molecular formula
- C12H14ClN3OS
- Average molar mass
- 283.78 g/mol
- Monoisotopic mass
- 283.0546109
Names & identifiers
- Preferred name
- 5-((4-Chloro-3-methylphenoxy)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
- IUPAC
- 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
- English name
- ART-CHEM-BB B018122
- Molecular formula
- C12H14ClN3OS
- Molecular weight
- 283.78
Names & synonyms
491647-37-15-[(4-Chloro-3-methylphenoxy)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione5-((4-Chloro-3-methylphenoxy)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thioneRefChem:2991235-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol5-((4-Chloro-3-methylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiolMFCD027455363-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thioneOprea1_843288SCHEMBL6410076DTXSID10357693ALBB-003438
Show more names
TIMTEC-BB SBB009454ART-CHEM-BB B018122CHEMBRDG-BB 30181223H-1,2,4-Triazole-3-thione, 5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-2,4-dihydro-5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
BBL016821STK435255AKOS000659722NCGC00324281-01VS-05598CS-0317728ST50270936H22821
Database identifiers
- CAS
491647-37-1- PubChem CID
- 862877
- DTXSID
DTXSID10357693
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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