chempirical

Azure II

C31H34Cl2N6S2CAS 37247-10-2625.68 g/mol

Open in Covalent MOL file
NNNS+NHNNS+Cl−Cl−
Secondary amineTertiary amine

Properties

Molecular formula
C31H34Cl2N6S2
Molar mass
625.68 g/mol
Exact mass
624.1663 Da
logP
1.71Crippen estimate
Polar surface area
47.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
37247-10-2
SMILES
CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.CNc1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.[Cl-].[Cl-]
InChIKey
XHDUSHSYEOGBGJ-UHFFFAOYSA-L
InChI
InChI=1S/C16H18N3S.C15H16N3S.2ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;;/h5-10H,1-4H3;4-9,16H,1-3H3;2*1H/q2*+1;;/p-2

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Names and synonyms

3 names
  • Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride (1:1), mixt. with 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium chloride (1:1)
  • Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride, mixt. with 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium chloride
  • Phenothiazin-5-ium, 3-(dimethylamino)-7-(methylamino)-, chloride, mixt. contg.

Work with Azure II

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Azure B531-55-5100 % similar Methylene blue61-73-476 % similar Methylene blue trihydrate7220-79-370 % similar Azure A531-53-364 % similar Azure C531-57-764 % similar Toluidine blue92-31-957 % similar Thionine581-64-641 % similar N,N,N′,N′-Tetramethylacridine-3,6-diamine monohydrochloride compd. with zinc dichloride10127-02-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook