chempirical

2-Amino-6-benzothiazolol

C7H6N2OSCAS 26278-79-5166.20 g/mol

Open in Covalent MOL file
HNHNOHS
Phenol

Properties

Molecular formula
C7H6N2OS
Molar mass
166.20 g/mol
Exact mass
166.0201 Da
Melting point
247 °C
logP
1.41Crippen estimate
Polar surface area
59.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
26278-79-5
SMILES
N=c1[nH]c2ccc(O)cc2s1
InChIKey
VLNVTNUTGNBNBY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2OS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H,(H2,8,9)

Weigh it out

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

Names and synonyms

5 names
  • 6-Benzothiazolol, 2-amino-
  • 6-Hydroxybenzothiazol-2-amine
  • 2-Amino-1,3-benzothiazol-6-ol
  • 2-Amino-6-hydroxybenzothiazole
  • 6-Hydroxy-2-aminobenzothiazole

Work with 2-Amino-6-benzothiazolol

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-bromobenzothiazole15864-32-163 % similar 2-Amino-6-fluorobenzothiazole348-40-358 % similar 2-Amino-6-chlorobenzothiazole95-24-958 % similar 2-Amino-6-methoxybenzothiazole1747-60-053 % similar 2-Amino-6-benzothiazolecarboxylic acid93-85-653 % similar 2-Aminobenzothiazole136-95-852 % similar Riluzole1744-22-549 % similar 6-(Methylsulfonyl)-2-benzothiazolamine17557-67-449 % similar

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

Same formula

2-Amino-4-benzothiazolol7471-03-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook