5-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
588692-13-1- Standard SMILES
CCn1c(COc2cc(C)ccc2Cl)n[nH]c1=S- InChIKey
NMRNOENSJMCHFR-UHFFFAOYSA-N- Molecular formula
- C12H14ClN3OS
- Average molar mass
- 283.78 g/mol
- Monoisotopic mass
- 283.0546109
Names & identifiers
- Preferred name
- 5-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
- English name
- ART-CHEM-BB B018065
- Molecular formula
- C12H14ClN3OS
- Molecular weight
- 283.78
Names & synonyms
588692-13-15-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol5-((2-Chloro-5-methylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiolMFCD039443863-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thioneOprea1_211765DTXSID30391458ALBB-003381BBL016887STK436546AKOS003322202NCGC00324219-01
Show more names
IVK/1268804CHEMBRDG-BB 3018065ART-CHEM-BB B0180655-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-2H-1,2,4-triazole-3-thione5-[(2-chloro-5-methyl-phenoxy)methyl]-4-ethyl-2H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 5-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-2,4-dihydro-5-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
VS-05660CS-0322860ST50843299H22766AB01319462-02F3077505-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiol3-[(2-chloro-5-methyl-phenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
Database identifiers
- CAS
588692-13-1- PubChem CID
- 3323364
- DTXSID
DTXSID30391458
Properties
Computed structural properties
- 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
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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