2,5-Bis(dodecyldithio)-1,3,4-thiadiazole
Basic information
- CAS
13539-12-3- Standard SMILES
CCCCCCCCCCCCSSc1nnc(SSCCCCCCCCCCCC)s1- InChIKey
ZBADMMCYTSORHN-UHFFFAOYSA-N- Molecular formula
- C26H50N2S5
- Average molar mass
- 551 g/mol
- Monoisotopic mass
- 550.25775547
Names & identifiers
- Preferred name
- 2,5-Bis(dodecyldithio)-1,3,4-thiadiazole
- IUPAC
- 2,5-bis(dodecyldisulfanyl)-1,3,4-thiadiazole
- English name
- 2,5-bis(dodecyldithio)-1,3,4-thiadiazole
- Molecular formula
- C26H50N2S5
- Molecular weight
- 551.01
Names & synonyms
2,5-Bis(dodecyldithio)-1,3,4-thiadiazole13539-12-3EINECS 236-911-7DTXSID80159328RefChem:82716DTXCID3081819236-911-72,5-bis(dodecyldisulfanyl)-1,3,4-thiadiazoleSCHEMBL886838ZBADMMCYTSORHN-UHFFFAOYSA-NNS000243851,3,4-Thiadiazole, 2,5-bis(dodecyldithio)-
Database identifiers
- CAS
13539-12-3- PubChem CID
- 83567
- DTXSID
DTXSID80159328- EC Number
- 236-911-7
- Nikkaji
- J241.180F
Properties
Computed structural properties
- XLogP
- 13.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 26
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 356
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…