Basic information
- CAS
77969-77-8- Standard SMILES
Nc1ccc2cc3ccc(=[NH2+])cc-3sc2c1- InChIKey
UOGRVKXJRATIIV-UHFFFAOYSA-O- Molecular formula
- C13H11N2S+
- Average molar mass
- 227.31 g/mol
- Monoisotopic mass
- 227.06429453
Names & identifiers
- Preferred name
- 3,6-Diaminothioxanthylium
- IUPAC
- (6-aminothioxanthen-3-ylidene)azanium
Names & synonyms
77969-77-83,6-DiaminothioxanthyliumThioxanthylium, 3,6-diamino-BRN 1380044DTXSID709992156-Amino-3H-thioxanthen-3-iminium
Database identifiers
- CAS
77969-77-8- PubChem CID
- 149602
- DTXSID
DTXSID70999215
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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