2,5-Bis((1,1,3,3-tetramethylbutyl)dithio)-1,3,4-thiadiazole
Basic information
- CAS
19878-61-6- Standard SMILES
CC(C)(C)CC(C)(C)SSc1nnc(SSC(C)(C)CC(C)(C)C)s1- InChIKey
LRYZVOQZDMSPCB-UHFFFAOYSA-N- Molecular formula
- C18H34N2S5
- Average molar mass
- 438.8 g/mol
- Monoisotopic mass
- 438.13255496
Names & identifiers
- Preferred name
- 2,5-Bis((1,1,3,3-tetramethylbutyl)dithio)-1,3,4-thiadiazole
- IUPAC
- 2,5-bis(2,4,4-trimethylpentan-2-yldisulfanyl)-1,3,4-thiadiazole
- English name
- 2,5-bis[(1,1,3,3-tetramethylbutyl)dithio]-1,3,4-thiadiazole
- Molecular formula
- C18H34N2S5
- Molecular weight
- 438.8
Names & synonyms
19878-61-62,5-Bis((1,1,3,3-tetramethylbutyl)dithio)-1,3,4-thiadiazoleEINECS 243-389-42,5-BIS[(1,1,3,3-TETRAMETHYLBUTYL)DITHIO]-1,3,4-THIADIAZOLEDTXSID30173630RefChem:82695DTXCID7096121243-389-42,5-bis(2,4,4-trimethylpentan-2-yldisulfanyl)-1,3,4-thiadiazole1,3,4-Thiadiazole, 2,5-bis[(1,1,3,3-tetramethylbutyl)dithio]-SCHEMBL284049LRYZVOQZDMSPCB-UHFFFAOYSA-N
Show more names
AMoco 150vanlbue 826 (RT)2,5-Bis(tert-octyldithio)-1,3,4-thiadiazole1,3,4-Thiadiazole,2,5-bis[(1,1,3,3-tetraMethylbutyl)dithio]
NS000264682,5-Bis[(2,4,4-trimethylpentan-2-yl)disulfanyl]-1,3,4-thiadiazole
Database identifiers
- CAS
19878-61-6- PubChem CID
- 88291
- DTXSID
DTXSID30173630- EC Number
- 243-389-4
- Nikkaji
- J280.387I
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 517.1 · 517.1±33.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- -2.83 · -2.83±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,3,4-Thiadiazole, 2,5-bis[(1,1,3,3-tetramethylbutyl)dithio]-
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…