Toluidine blue

C₁₅H₁₆ClN₃SCAS 92-31-9305.82 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₅H₁₆ClN₃S
Molar mass: 305.82 g/mol
Exact mass: 305.0753 Da
logP: 0.69Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

92-31-9

SMILES

Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-]

InChIKey

HNONEKILPDHFOL-UHFFFAOYSA-M

InChI

InChI=1S/C15H16N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

22 names · show all

Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-2-methyl-, chloride (1:1)
Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-2-methyl-, chloride
3-Amino-7-(dimethylamino)-2-methylphenothiazin-5-ium chloride
Blutene chloride
Dimethyltoluthionine chloride
Klot
F Klot
Schultz 1041
Tolazul
Tolonium chloride
3-Amino-7-(dimethylamino)-2-methylphenazathionium chloride
Toluidine blue (phenothiazine dye)
C.I. Basic blue 17
Toluidine blue OO
Toluidine blue O
Gabilin
Menodin
o-Toluidine blue
C.I. 52040
Basic blue 17
Blutene
NSC 36758

Work with Toluidine blue

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

Methylene blue61-73-470 % similar Azure A531-53-367 % similar Methylene blue trihydrate7220-79-365 % similar Neutral red553-24-260 % similar Azure ii37247-10-257 % similar Thionine581-64-644 % similar Safranin477-73-642 % 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

Same formula

Azure B531-55-5

Elsewhere

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