5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
29448-76-8- Standard SMILES
CCc1n[nH]c(=S)n1-c1ccccc1- InChIKey
CEQSRCVNBFGKSW-UHFFFAOYSA-N- Molecular formula
- C10H11N3S
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.06736854
Names & identifiers
- Preferred name
- 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-ethyl-4-phenyl-1H-1,2,4-triazole-5-thione
- English name
- 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol
- Molecular formula
- C10H11N3S
- Molecular weight
- 205.28
Names & synonyms
5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol29448-76-8DTXSID20418764RefChem:302984DTXCID70369611MFCD040572413-ethyl-4-phenyl-1H-1,2,4-triazole-5-thione3H-1,2,4-Triazole-3-thione, 5-ethyl-2,4-dihydro-4-phenyl-5-ethyl-4-phenyl-1,2,4-triazole-3-thiol5-ethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione3-Mercapto-4-phenyl-5-ethyl-1,2,4-triazoleSCHEMBL2981458
Show more names
UKRORGSYN-BB BBV-2616985-ethyl-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
CEQSRCVNBFGKSW-UHFFFAOYSA-NSTK256788AKOS000283339AKOS030240412BS-358993-ethyl-4-phenyl-1,2,4-triazole-5-thiolCS-0296790ST50847805
Database identifiers
- CAS
29448-76-8- PubChem CID
- 5375772
- DTXSID
DTXSID20418764- Nikkaji
- J542.901C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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