4-ethyl-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
667436-83-1- Standard SMILES
CCn1c(COc2ccc(F)cc2)n[nH]c1=S- InChIKey
HRROXJRZFCPWHY-UHFFFAOYSA-N- Molecular formula
- C11H12FN3OS
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.06851135
Names & identifiers
- Preferred name
- 4-ethyl-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-ethyl-3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione
- English name
- ART-CHEM-BB B018117
- Molecular formula
- C11H12FN3OS
- Molecular weight
- 253.3
Names & synonyms
667436-83-14-ethyl-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiolMFCD039006094-ethyl-3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione4-Ethyl-5-((4-fluorophenoxy)methyl)-4H-1,2,4-triazole-3-thiolDTXSID50395554ALBB-003432STK442008AKOS003313361VS-05950ST50846030H22815
Show more names
ART-CHEM-BB B018117CHEMBRDG-BB 30181173H-1,2,4-Triazole-3-thione, 4-ethyl-5-[(4-fluorophenoxy)methyl]-2,4-dihydro-4-ethyl-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
F3077794-ethyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazole-3-thiol4-Ethyl-5-[(4-fluorophenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
667436-83-1- PubChem CID
- 3723936
- DTXSID
DTXSID50395554
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
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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