chempirical

2-Amino-6-ethoxybenzothiazole

C9H10N2OSCAS 94-45-1194.25 g/mol

Open in Covalent MOL file
ONHNHS
Ether

Properties

Molecular formula
C9H10N2OS
Molar mass
194.25 g/mol
Exact mass
194.0514 Da
Melting point
161–162 °C
logP
2.11Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
94-45-1
SMILES
CCOc1ccc2[nH]c(=N)sc2c1
InChIKey
KOYJWFGMEBETBU-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11)

Weigh it out

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

Names and synonyms

9 names
  • 2-Benzothiazolamine, 6-ethoxy-
  • Benzothiazole, 2-amino-6-ethoxy-
  • Benzothiazole, 1-amino-5-ethoxy-
  • 6-Ethoxy-2-benzothiazolamine
  • 6-Ethoxy-2-aminobenzothiazole
  • 6-Ethoxy-1,3-benzothiazol-2-ylamine
  • NSC 28731
  • (6-Ethoxybenzothiazol-2-yl)amine
  • 6-Ethoxybenzo[d]thiazol-2-amine

Work with 2-Amino-6-ethoxybenzothiazole

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

2-Amino-6-methoxybenzothiazole1747-60-065 % similar Riluzole1744-22-556 % similar 2-Amino-6-carbethoxybenzothiazole50850-93-656 % similar 5-Methoxy-2-benzothiazolamine54346-87-149 % similar 2-Amino-6-bromobenzothiazole15864-32-149 % similar 2-Amino-6-benzothiazolol26278-79-549 % similar 2-Amino-6-fluorobenzothiazole348-40-349 % similar 2-Amino-6-chlorobenzothiazole95-24-949 % similar

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

Same formula

5-Ethoxy-2-mercaptobenzimidazole55489-15-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook