CAS 57360-69-7|N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzenecarboximidamide|N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzenecarboximidamide|MTT FORMAZAN|1-(4,5-Dimethylthi...

General Information

Structure

Molecular Formula

C₁₈H₁₇N₅S

Molecular Mass

335.42608

Exact Mass

335.12046657

Charge

InChI

InChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-22-17(15-9-5-3-6-10-15)21-20-16-11-7-4-8-12-16/h3-12,20H,1-2H3

InChIKey

GIFKVQOPAJDJLO-UHFFFAOYSA-N

Canonic Smiles

Cc1sc(nc1C)/N=N/C(=N/Nc1ccccc1)/c1ccccc1

Isomeric Smiles

Cc1c(C)nc(s1)/N=N/C(=N/Nc1ccccc1)/c1ccccc1

Calculated Properties

JChem

Acid pKa

13.354387

H Acceptors

H Donor

LogD (pH = 5.5)

5.569525

LogD (pH = 7.4)

5.7246976

Log P

5.755733

Molar Refractivity

99.9921

Polarizability

36.183987

Polar Surface Area

62.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzenecarboximidamide (NE,E)-N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzene-1-carboximidamide

IUPAC name

N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzenecarboximidamide (NE,E)-N-[(dimethyl-1,3-thiazol-2-yl)imino]-N'-(phenylamino)benzene-1-carboximidamide

Synonyms

MTT FORMAZAN1-(4,5-Dimethylthiazol-2-yl)-3,5-diphenylformazanThiazolyl blue formazanMTT Formazan

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

MDL Number