5,5'-Diphenyl-3,3'-diisothiazole disulfide
Basic information
- CAS
15139-41-0- Standard SMILES
c1ccc(-c2cc(SSc3cc(-c4ccccc4)sn3)ns2)cc1- InChIKey
NVJLHGOWQFPKFH-UHFFFAOYSA-N- Molecular formula
- C18H12N2S4
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 383.98833309
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5,5'-Diphenyl-3,3'-diisothiazole disulfide
- IUPAC
- 5-phenyl-3-[(5-phenyl-1,2-thiazol-3-yl)disulfanyl]-1,2-thiazole
- English name
- 5,5'-diphenyl-3,3'-diisothiazole disulfide
- Molecular formula
- C18H12N2S4
- Molecular weight
- 384.56
Names & synonyms
Dpdids15139-41-05,5'-Diphenyl-3,3'-diisothiazole disulfideDTXSID20164774RefChem:101020DTXCID70872653,3'-disulfanediylbis(5-phenyl-1,2-thiazole)di5-Phenylisothiazol-3-yl disulfideIsothiazole, 3,3'-dithiobis(5-phenyl)-5-phenyl-3-[(5-phenylisothiazol-3-yl)disulfanyl]isothiazoleIsothiazole, 3,3'-dithiobis[5-phenyl- (8CI,9CI)
Database identifiers
- CAS
15139-41-0- PubChem CID
- 167252
- DTXSID
DTXSID20164774- Nikkaji
- J1.138.570B
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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