2-(4-Aminophenyl)-6-methylbenzothiazole

C14H12N2SCAS 92-36-4240.32 g/mol

Open in Covalent MOL file
NNH2S
Primary amine

Properties

Molecular formula
C14H12N2S
Molar mass
240.32 g/mol
Exact mass
240.0721 Da
Melting point
194.8 °C
Boiling point
434 °C
Water solubility
< 1 g/L (20 °C)
logP
3.85Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
92-36-4
SMILES
Cc1ccc2nc(-c3ccc(N)cc3)sc2c1
InChIKey
XRTJYEIMLZALBD-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Benzenamine, 4-(6-methyl-2-benzothiazolyl)-
  • Benzothiazole, 2-(p-aminophenyl)-6-methyl-
  • Benzothiazole, 1-(p-aminophenyl)-5-methyl-
  • 4-(6-Methyl-2-benzothiazolyl)benzenamine
  • Dehydrothio-p-toluidine
  • 4-(6-Methyl-2-benzothiazolyl)aniline
  • 2-(p-Aminophenyl)-6-methylbenzothiazole
  • NSC 15370
  • NSC 57678
  • 4-(6-Methylbenzo[d]thiazol-2-yl)aniline

Work with 2-(4-Aminophenyl)-6-methylbenzothiazole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-Aminophenyl)benzothiazole6278-73-561 % similar 2,6-Dimethylbenzothiazole2941-71-153 % similar 2-Methyl-1,3-benzothiazol-6-amine2941-62-050 % similar 2-Chloro-6-methylbenzothiazole3507-26-450 % similar 2-(4-Aminophenyl)-6-methyl-7-benzothiazolesulfonic acid130-17-644 % similar 2-(Methylsulfanyl)-1,3-benzothiazol-6-amine25706-29-043 % similar 6-Amino-2-mercaptobenzothiazole7442-07-143 % similar 4-Methylaniline106-49-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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