Basic information
- CAS
635-76-7- Standard SMILES
Cl.N=c1ccc2nc3ccc(N)cc3sc-2c1- InChIKey
PVPBBTJXIKFICP-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3S
- Average molar mass
- 263.75 g/mol
- Monoisotopic mass
- 263.0283962
Overview
See other relationships...
Names & identifiers
- Preferred name
- 7-Iminophenothiazin-3-amine;hydrochloride
- IUPAC
- 7-iminophenothiazin-3-amine;hydrochloride
- English name
- Thionine(acetate)
- Molecular formula
- C12H10ClN3S
- Molecular weight
- 263.7459
Names & synonyms
7-iminophenothiazin-3-amine;hydrochlorideSCHEMBL29376365PVPBBTJXIKFICP-UHFFFAOYSA-NMFCD00078211(7-aminophenothiazin-3-ylidene)ammonium;chlorideQ4353986
Database identifiers
- CAS
635-76-7- PubChem CID
- 65045
- DTXSID
DTXSID60936593
Properties
Computed structural properties
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…