2,1,3-Benzothia(S(sup IV))diazole-5-methylamine, N,N'-dithiobis(ethylene)bis-
Basic information
- CAS
100333-42-4- Standard SMILES
c1cc2nsnc2cc1CNCCSSCCNCc1ccc2nsnc2c1- InChIKey
FRVHICFKYKRCJF-UHFFFAOYSA-N- Molecular formula
- C18H20N6S4
- Average molar mass
- 448.7 g/mol
- Monoisotopic mass
- 448.06322936
Names & identifiers
- Preferred name
- 2,1,3-Benzothia(S(sup IV))diazole-5-methylamine, N,N'-dithiobis(ethylene)bis-
- IUPAC
- N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[2-(2,1,3-benzothiadiazol-5-ylmethylamino)ethyldisulfanyl]ethanamine
- English name
- N,N'-(Dithiobisethylene)bis(2,1,3-benzothiadiazole-SIV-5-methanamine)
- Molecular formula
- C18H20N6S4
- Molecular weight
- 448.6516
Names & synonyms
BRN 05856972,1,3-Benzothia(S(sup IV))diazole-5-methylamine, N,N'-dithiobis(ethylene)bis-100333-42-4DTXSID70143175N,N'-Dithiobis(ethylene)bis(2,1,3-benzothia(S(sup IV))diazole-5-methylamine)RefChem:241840DTXCID80656662,2'-Disulfanediylbis{N-[(2,1,3-benzothiadiazol-5-yl)methyl]ethan-1-amine}N,N'-(Dithiobisethylene)bis(2,1,3-benzothiadiazole-SIV-5-methanamine)
Database identifiers
- CAS
100333-42-4- PubChem CID
- 3063271
- DTXSID
DTXSID70143175- Nikkaji
- J443.297E、J65.514G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 422
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…