Basic information
- CAS
588673-87-4- Standard SMILES
CCn1c(C(C)Oc2ccccc2C)n[nH]c1=S- InChIKey
NKZWUXYAROERMI-UHFFFAOYSA-N- Molecular formula
- C13H17N3OS
- Average molar mass
- 263.36 g/mol
- Monoisotopic mass
- 263.10923335
Names & identifiers
- Preferred name
- 4-ethyl-5-[1-(2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-ethyl-3-[1-(2-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
- English name
- ART-CHEM-BB B018137
- Molecular formula
- C13H17N3OS
- Molecular weight
- 263.36
Names & synonyms
588673-87-44-ethyl-5-[1-(2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol4-Ethyl-5-(1-(o-tolyloxy)ethyl)-4H-1,2,4-triazole-3-thiol4-ethyl-3-[1-(2-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thioneMFCD03943511DTXSID10395116ALBB-003453BBL013370STK401449AKOS003290031AKOS017259215VS-03790
Show more names
CHEMBRDG-BB 3018137ART-CHEM-BB B0181373H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-[1-(2-methylphenoxy)ethyl]-4-ethyl-5-[1-(2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
CS-0319785ST50841875H22836F3077924-ethyl-5-[(2-methylphenoxy)ethyl]-1,2,4-triazole-3-thiol4-Ethyl-5-[1-(2-methylphenoxy)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
588673-87-4- PubChem CID
- 3691657
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
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
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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