chempirical

2-Amino-4-benzothiazolol

C7H6N2OSCAS 7471-03-6166.20 g/mol

Open in Covalent MOL file
HNHNHOS
Phenol

Properties

Molecular formula
C7H6N2OS
Molar mass
166.20 g/mol
Exact mass
166.0201 Da
Melting point
186 °C
logP
1.41Crippen estimate
Polar surface area
59.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
7471-03-6
SMILES
N=c1[nH]c2c(O)cccc2s1
InChIKey
PFQJPSASUCHKRO-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2OS/c8-7-9-6-4(10)2-1-3-5(6)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
  • 4-Benzothiazolol, 2-amino-
  • NSC 403535
  • 2-Amino-4-hydroxybenzothiazole
  • 2-Amino-1,3-benzothiazol-4-ol
  • 2-Aminobenzothiazol-4-ol

Work with 2-Amino-4-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-4-methylbenzothiazole1477-42-564 % similar 2-Amino-4-chlorobenzothiazole19952-47-761 % similar 4-Bromo-2-benzothiazolamine20358-02-561 % similar 4-Methoxy-2-benzothiazolamine5464-79-954 % similar 2-Aminobenzothiazole136-95-850 % similar Naphtho[1,2-D]thiazol-2-amine40172-65-449 % similar 5-Chloro-2-benzothiazolamine20358-00-339 % similar 2-Amino-6-chlorobenzothiazole95-24-939 % similar

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

Same formula

2-Amino-6-benzothiazolol26278-79-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook