Basic information
- CAS
906423-26-5- Standard SMILES
c1ccc2c(c1)NC(SSC1Nc3ccccc3S1)S2- InChIKey
LSIWVWVYFGQFSQ-UHFFFAOYSA-N- Molecular formula
- C14H12N2S4
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 335.98833309
Names & identifiers
- Preferred name
- 2-(2,3-Dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazole
- IUPAC
- 2-(2,3-dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazole
Names & synonyms
NSC1089972-(2,3-dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazoleDTXSID70275864NSC-108997906423-26-52,2'-Dithiobis(2,3-dihydro-1,3-benzothiazole)Di(2,3-dihydro-1,3-benzothiazol-2-yl) disulfide2-(2,3-Dihydro-1,3-benzothiazol-2-yldithio)-2,3-dihydro-1,3-benzothiazole
Database identifiers
- CAS
906423-26-5- PubChem CID
- 268682
- DTXSID
DTXSID70275864- Nikkaji
- J3.299.189K
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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