7-Amino-3H-phenothiazin-3-iminium
Basic information
- CAS
26754-93-8- Standard SMILES
Nc1ccc2nc3ccc(=[NH2+])cc-3sc2c1- InChIKey
SHHZUHVSERGLNW-UHFFFAOYSA-O- Molecular formula
- C12H10N3S+
- Average molar mass
- 228.3 g/mol
- Monoisotopic mass
- 228.05954351
Overview
Thionine cation is the cationic form of 3,7-diaminophenothiazine. It has a role as a fluorochrome. It is an organic cation and an organic heterotricyclic compound.
Names & identifiers
- Preferred name
- 7-Amino-3H-phenothiazin-3-iminium
- IUPAC
- (7-aminophenothiazin-3-ylidene)azanium
- English name
- 3,7-diaminophenothiazin-5-ium
- Molecular formula
- C12H10N3S+
- Molecular weight
- 228.29
Names & synonyms
DTXSID109996937-Amino-3H-phenothiazin-3-iminiumRefChem:1074350DTXCID601426663thionine cation3,7-diaminophenothiazin-5-iumThionine base(7-aminophenothiazin-3-ylidene)azanium26754-93-8Phenothiazin-5-ium, 3,7-diamino-thionine(1+)GNF-Pf-3564
Show more names
2,7-Diamino-9-thionia-10-azaanthracene
8CFV7T4334NSC9591CHEMBL593252UNII-8CFV7T4334DAP-5-iumSCHEMBL146313CHEMBL1178210SCHEMBL30165715
Database identifiers
- CAS
26754-93-8、78338-22-4- PubChem CID
- 462371
- DTXSID
DTXSID10999693- ChEMBL
CHEMBL1178210、CHEMBL593252- ChEBI
CHEBI:52926- UNII
- 8CFV7T4334
- Nikkaji
- J1.879A、J2.929.944G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 388
Physicochemical properties
- FDA UNII
- 8 CFV7T4334 · 8CFV7T4334
Chemistry & industry
Additional notes
DefinitionChEBI: Thionine cation is the cationic form of 3,7-diaminophenothiazine. It has a role as a fluorochrome. It is an organic heterotricyclic compound and an organic cation.
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Related reactions
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Compound notes
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