Basic information
- CAS
135-59-1- Standard SMILES
N=c1ccc2nc3ccc(N)cc3sc-2c1- InChIKey
SHHZUHVSERGLNW-UHFFFAOYSA-N- Molecular formula
- C12H9N3S
- Average molar mass
- 227.29 g/mol
- Monoisotopic mass
- 227.05171847
Overview
See also: Thionine acetate (annotation moved to).
Names & identifiers
- Preferred name
- 3-Imino-3H-phenothiazin-7-amine
- IUPAC
- 7-iminophenothiazin-3-amine
- English name
- 3-Imino-3H-phenothiazin-7-amine
- Molecular formula
- C12H10ClN3S
- Molecular weight
- 263.75
Names & synonyms
3-Imino-3H-phenothiazin-7-amine135-59-17-iminophenothiazin-3-amine3H-Phenothiazin-7-amine, 3-imino-3865S9RNBCUNII-3865S9RNBCEINECS 205-204-5AI3-630113,7-diamino-5-phenothiaziniumSCHEMBL2609274DTXSID409288503-Imino-3H-phenothiazin-7-ylamine #
Show more names
THIONINCI 52000CI NO 5200CI NO 52000LAUTHS VIOLETLAUTH'S VIOLET7-Amino-3-imino-3H-phenothiazine7-Amino-3H-phenothiazine-3-imine3-Imino-3H-phenothiazine-7-amine
3H-PHENOTHIAZINE, 7-AMINO-3-IMINO-NS00041547
Database identifiers
- CAS
135-59-1- PubChem CID
- 65044
- DTXSID
DTXSID40928850- UNII
- 3865S9RNBC
- EC Number
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- FDA UNII
- 3865 S9RNBC · 3865S9RNBC
Chemistry & industry
Applications
UsesTHIONIN is for general nuclear staining; for counting bacteria in milk; as antioxidant for linseed oil. Has been used as catalyst in condensation of 1,3-butadienyl ethyl ether with maleic anhydride.
Suppliers1 total
山东中图化工有限公司17864755731 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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