5,6-Dimethyl-2-benzothiazolamine

C9H10N2SCAS 29927-08-0178.25 g/mol

Open in Covalent MOL file
NHNHS

Properties

Molecular formula
C9H10N2S
Molar mass
178.25 g/mol
Exact mass
178.0565 Da
Water solubility
< 1 g/L (20 °C)
logP
2.33Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
29927-08-0
SMILES
Cc1cc2[nH]c(=N)sc2cc1C
InChIKey
IODWHFFPQHUDAG-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H2,10,11)

Weigh it out

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

Names and synonyms

10 names
  • 2-Benzothiazolamine, 5,6-dimethyl-
  • Benzothiazole, 2-amino-5,6-dimethyl-
  • 2-Amino-5,6-dimethylbenzothiazole
  • 5,6-Dimethyl-2-aminobenzothiazole
  • 5,6-Dimethyl-1,3-benzothiazol-2-ylamine
  • NSC 140729
  • (5,6-Dimethylbenzothiazol-2-yl)amine
  • SKA 48
  • 2-Amino-5,6-dimethyl-1,3-benzothiazole
  • 5,6-Dimethylbenzo[d]thiazol-2-amine

Work with 5,6-Dimethyl-2-benzothiazolamine

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

5-Methyl-2-benzothiazolamine14779-17-056 % similar 2-Amino-6-methylbenzothiazole2536-91-656 % similar 2-Amino-5,6-dichlorobenzothiazole24072-75-155 % similar 2-Amino-4-methylbenzothiazole1477-42-550 % similar 2-Amino-5,6-dimethylbenzimidazole29096-75-148 % similar 2-Amino-6-methoxybenzothiazole1747-60-047 % similar 5-Methoxy-2-benzothiazolamine54346-87-147 % similar 2-Amino-6-bromobenzothiazole15864-32-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Isothiocyanato-N,N-dimethylbenzenamine2131-64-8 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile4651-91-6 p-Dimethylaminophenyl thiocyanate7152-80-9

Elsewhere

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