chempirical

4-N,N-Dimethylaminoazobenzene-4′-isothiocyanate

C15H14N4SCAS 7612-98-8282.37 g/mol

Open in Covalent MOL file
NNNNS
AzoIsothiocyanateTertiary amine

Properties

Molecular formula
C15H14N4S
Molar mass
282.37 g/mol
Exact mass
282.0939 Da
Melting point
220 °C
logP
4.90Crippen estimate
Polar surface area
40.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
7612-98-8
SMILES
CN(C)c1ccc(N=Nc2ccc(N=C=S)cc2)cc1
InChIKey
OSWZKAVBSQAVFI-UHFFFAOYSA-N
InChI
InChI=1S/C15H14N4S/c1-19(2)15-9-7-14(8-10-15)18-17-13-5-3-12(4-6-13)16-11-20/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 4-[2-(4-isothiocyanatophenyl)diazenyl]-N,N-dimethyl-
  • Isothiocyanic acid, p-[[p-(dimethylamino)phenyl]azo]phenyl ester
  • Benzenamine, 4-[(4-isothiocyanatophenyl)azo]-N,N-dimethyl-
  • Aniline, p-[(p-isothiocyanatophenyl)azo]-N,N-dimethyl-
  • 4-[2-(4-Isothiocyanatophenyl)diazenyl]-N,N-dimethylbenzenamine
  • 4′-Dimethylaminoazobenzene-4-isothiocyanate
  • 4-Dimethylamino-4′-isothiocyanatoazobenzene
  • DABITC
  • 4-Dimethylaminophenylazophenyl-4′-isothiocyanate

Work with 4-N,N-Dimethylaminoazobenzene-4′-isothiocyanate

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

4-Isothiocyanato-N,N-dimethylbenzenamine2131-64-889 % similar Methyl yellow60-11-758 % similar Bitoscanate4044-65-956 % similar 4-[2-(4-Aminophenyl)diazenyl]-N,N-dimethylbenzenamine539-17-355 % similar P-Tolyl isothiocyanate622-59-350 % similar Dabsyl chloride56512-49-347 % similar Pyridine-2-azo-P-dimethylaniline13103-75-846 % similar 1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene19241-24-846 % similar

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

Elsewhere

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