Basic information
- CAS
26029-01-6- Standard SMILES
CCn1c(-c2ccncc2)n[nH]c1=S- InChIKey
ABRXECVGFQUVGO-UHFFFAOYSA-N- Molecular formula
- C9H10N4S
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.06261732
Names & identifiers
- Preferred name
- 4-Ethyl-5-pyridin-4-yl-4h-(1,2,4)triazole-3-thiol
- IUPAC
- 4-ethyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
- English name
- 4-Ethyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
- Molecular formula
- C9H10N4S
- Molecular weight
- 206.27
Names & synonyms
26029-01-64-ethyl-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiolDTXSID103539134-Ethyl-5-pyridin-4-yl-4h-(1,2,4)triazole-3-thiolRefChem:1070656DTXCID203049764-ethyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol4-ethyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thioneMFCD032862753H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(4-pyridinyl)-
Show more names
4-ethyl-5-(4-pyridyl)-2H-1,2,4-triazole-3-thione4-ethyl-5-pyridin-4-yl-2H-1,2,4-triazole-3-thione4H-[1,2,4]Triazole-3-thiol, 4-ethyl-5-pyridin-4-yl-3H-1,2,4-Triazole-3-thione,4-ethyl-2,4-dihydro-5-(4-pyridinyl)-
4-ethyl-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thiolOprea1_864735MLS000677477SCHEMBL1544338SCHEMBL2893146CHEMBL1519536HMS2623A03
Database identifiers
- CAS
26029-01-6- PubChem CID
- 758273
- DTXSID
DTXSID10353913- ChEMBL
CHEMBL1519536- Nikkaji
- J1.656.212B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 290 · 290-293 °C
- Boiling point
- 309 · 309.0±34.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 7.63 · 7.63±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers3 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
3 records
Compound notes
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