Basic information
- CAS
73688-71-8- Standard SMILES
C(#CCSc1nc2ccccc2[nH]1)CSc1nc2ccccc2[nH]1- InChIKey
KSIZODDQGJAOTG-UHFFFAOYSA-N- Molecular formula
- C18H14N4S2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.06598881
Names & identifiers
- Preferred name
- Benzimidazole, 2,2'-(2-butynylenedithio)di-
- IUPAC
- 2-[4-(1H-benzimidazol-2-ylsulfanyl)but-2-ynylsulfanyl]-1H-benzimidazole
- English name
- 2,2'-(2-Butyne-1,4-diylbisthio)bis(1H-benzimidazole)
- Molecular formula
- C18H14N4S2
- Molecular weight
- 350.46
Names & synonyms
73688-71-8BENZIMIDAZOLE, 2,2'-(2-BUTYNYLENEDITHIO)DI-2,2'-(2-Butynylenedithio)dibenzimidazole2,2'-(2-Butynyldimercapto)bisbenzimidazoleDTXSID90223963RefChem:325832DTXCID201464542,2'-(2-Butyne-1,4-diylbisthio)bis(1H-benzimidazole)2-[4-(1H-benzimidazol-2-ylsulfanyl)but-2-ynylsulfanyl]-1H-benzimidazoleCBMicro_021667Benzimidazole, 2,2//'-(2-butynylenedithio)DI-CCG-13416
Show more names
1H-Benzimidazole, 2,2'-[2-butyne-1,4-diylbis(thio)]bis- (9CI)
STK016024AKOS000605441BIM-0021628.P001ST50250637AH-357/034580392-(4-benzimidazol-2-ylthiobut-2-ynylthio)benzimidazole2,2'-(but-2-yne-1,4-diyldisulfanediyl)bis(1H-benzimidazole)2,2'-[But-2-yne-1,4-diylbis(sulfanediyl)]bis(1H-1,3-benzimidazole)
Database identifiers
- CAS
73688-71-8- PubChem CID
- 52209
- DTXSID
DTXSID90223963- Nikkaji
- J69.189E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 638.1 · 638.1±65.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 10.26 · 10.26±0.10(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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