Thionine acetate
Properties
- Molecular formula
- C14H13N3O2S
- Molar mass
- 287.34 g/mol
- Exact mass
- 287.0728 Da
- logP
- 1.65Crippen estimate
- Polar surface area
- 105.1 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 0
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
78338-22-4SMILES
CC(=O)[O-].Nc1ccc2nc3ccc(N)cc3[s+]c2c1InChIKey
OWXBIRAFHWASMS-UHFFFAOYSA-MInChI
InChI=1S/C12H10N3S.C2H4O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;1-2(3)4/h1-6H,13-14H2;1H3,(H,3,4)/q+1;/p-1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Phenothiazin-5-ium, 3,7-diamino-, acetate (1:1)
- Phenothiazin-5-ium, 3,7-diamino-, acetate
- 3,7-Diaminophenothiazin-5-ium acetate
- Thionin acetate
- 3,7-Diamino-5λ4-phenothiazin-5-ylium acetate
Work with Thionine acetate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Acetic acid64-19-7Free acid
(2H3)Acetic (2H)acid1186-52-3Free acid, labelled
Potassium acetate127-08-2Salt
Aluminium diacetate142-03-0Salt
Calcium acetate62-54-4Salt
Copper(II) acetate142-71-2Salt
Mercury(II) acetate1600-27-7Salt
Lead(II) acetate301-04-2Salt
Aluminium triacetate139-12-8Salt
4-Aminophenylmercuric acetate6283-24-5Salt
Basic lead acetate1335-32-6Salt
Cobalt(II) acetate71-48-7Salt
Similar compounds
Azure A531-53-350 % similar
Azure C531-57-750 % similar
Methylene blue61-73-435 % similar
6-Amino-2-methylquinoline65079-19-833 % similar
Methylene blue trihydrate7220-79-333 % similar
Bis(triphenylphosphine)palladium diacetate14588-08-033 % similar
2-Methyl-1,3-benzothiazol-6-amine2941-62-033 % similar
2-Methyl-1,3-benzoxazol-6-amine5676-60-833 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.