Basic information
- CAS
23988-58-1- Standard SMILES
c1n[nH]c(SCCSc2ncn[nH]2)n1- InChIKey
AUDUPCFJTNCKAI-UHFFFAOYSA-N- Molecular formula
- C6H8N6S2
- Average molar mass
- 228.3 g/mol
- Monoisotopic mass
- 228.02518663
Names & identifiers
- Preferred name
- 3-([2-(4H-1,2,4-Triazol-3-ylthio)ethyl]thio)-4H-1,2,4-triazole
- IUPAC
- 5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethylsulfanyl]-1H-1,2,4-triazole
- English name
- 3-[[2-(4H-1,2,4-Triazol-3-ylthio)ethyl]thio]-4H-1,2,4-triazole
- Molecular formula
- C6H8N6S2
- Molecular weight
- 228.3
Names & synonyms
23988-58-13-([2-(4H-1,2,4-Triazol-3-ylthio)ethyl]thio)-4H-1,2,4-triazole1,2-Bis((4H-1,2,4-triazol-3-yl)thio)ethane3-[[2-(4h-1,2,4-triazol-3-ylthio)ethyl]thio]-4h-1,2,4-triazole5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethylsulfanyl]-1H-1,2,4-triazole3-{[2-(4H-1,2,4-Triazol-3-ylthio)ethyl]thio}-4H-1,2,4-triazoleMFCD013126691,2-Bis(4H-1,2,4-triazol-3-ylthio)ethaneMaybridge1_004114HMS553C24DTXSID40370774CCG-48383
Show more names
1H-1,2,4-Triazole, 3,3'-[1,2-ethanediylbis(thio)]bis-5-[2-(1H-1,2,4-triazol-5-ylthio)ethylthio]-1H-1,2,4-triazole
SBB097324DB-046312SR-01000637930-13,3'-(1,2-Ethanediyldisulfanediyl)bis(1H-1,2,4-triazole)5,5'-(Ethane-1,2-diyldisulfanediyl)bis(1H-1,2,4-triazole)3-(2-(4H-1,2,4-triazol-3-ylthio)ethylthio)-4H-1,2,4-triazole5,5'-[Ethane-1,2-diylbis(sulfanediyl)]bis(1H-1,2,4-triazole)
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 197 · 197-200
- Boiling point
- 567.9 · 567.9±60.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 8.49 · 8.49±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P310
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Irritant
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P310
Chemistry & industry
Suppliers2 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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