1,8-Bis(2-pyridyl)-3,6-dithiaoctane
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Basic information
- CAS
64691-70-9- Standard SMILES
c1ccc(CCSCCSCCc2ccccn2)nc1- InChIKey
YDPDVMHQFYTZDI-UHFFFAOYSA-N- Molecular formula
- C16H20N2S2
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.10679099
Names & identifiers
- Preferred name
- 1,8-Bis(2-pyridyl)-3,6-dithiaoctane
- IUPAC
- 2-[2-[2-(2-pyridin-2-ylethylsulfanyl)ethylsulfanyl]ethyl]pyridine
- English name
- 1,8-BIS(2-PYRIDYL)-3,6-DITHIAOCTANE
- Molecular formula
- C16H20N2S2
- Molecular weight
- 304.48
Names & synonyms
1,8-Bis(2-pyridyl)-3,6-dithiaoctane64691-70-91,2-Bis((2-(pyridin-2-yl)ethyl)thio)ethaneMFCD000063662-[2-[2-(2-pyridin-2-ylethylsulfanyl)ethylsulfanyl]ethyl]pyridineNSC176060S,S'-Bis[2-(2-pyridyl)ethyl]-1,2-ethanedithiolorb3212951SCHEMBL1825837DTXSID20306399AKOS025394791NSC-176060
Show more names
Bispyridyldithiaoctane1,8-Di-2-pyridyl-3,6-dithiaoctane.1,8-Bis(2-pyridyl)-3,6-dithiaoctane >2,2'-(3,6-dithiaoctamethylene)dipyridineEthylenebis[[2-(2-pyridyl)ethyl] sulfide]2,2'-Ethylenebis(thioethylene)bispyridine2,2'-[Ethylenebis(thioethylene)]dipyridine
2,2'-(3,6-Dithiaoctamethylene)pyridineSY0548731,8-Bis(2'-pyridyl)-3,6-dithia octane2,2'-(3,6-Dithiaoctamethylene)dipyridineDB-054712CS-0358007F7503732,2'-[Ethane-1,2-diylbis(sulfanediylethane-2,1-diyl)]dipyridine
Database identifiers
- CAS
64691-70-9- PubChem CID
- 300754
- DTXSID
DTXSID20306399- Nikkaji
- J150.104F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 51 °C · 51 °C
- Boiling point
- 481.06 · 481.060±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.519 · 5.519±0.10(predicted)
- form
- powder to crystal
- color
- White to Light yellow to Dark green
- CAS DataBase Reference
- 64691 · 64691-70-9
- HS Code
- 2933.39 · 2933.39.9200
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
- 2933.39.9200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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