5-Chloro-2-benzothiazolamine

C7H5ClN2SCAS 20358-00-3184.64 g/mol

Open in Covalent MOL file
HNHNClS
Aryl halide

Properties

Molecular formula
C7H5ClN2S
Molar mass
184.64 g/mol
Exact mass
183.9862 Da
Melting point
196–198 °C
logP
2.36Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
20358-00-3
SMILES
N=c1[nH]c2cc(Cl)ccc2s1
InChIKey
AVVSRALHGMVQQW-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)

Weigh it out

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

Names and synonyms

7 names
  • 2-Benzothiazolamine, 5-chloro-
  • Benzothiazole, 2-amino-5-chloro-
  • 2-Amino-5-chlorobenzothiazole
  • 5-Chloro-2-aminobenzothiazole
  • 5-Chloro-2-benzothiazolylamine
  • NSC 44454
  • NSC 56970

Work with 5-Chloro-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-benzothiazolamine14779-17-058 % similar 5-Bromo-1,3-benzothiazol-2-amine20358-03-658 % similar 2-Amino-5,6-dichlorobenzothiazole24072-75-156 % similar 5-Methoxy-2-benzothiazolamine54346-87-153 % similar 2-Aminobenzothiazole136-95-852 % similar 2-Amino-5-chlorobenzimidazole5418-93-948 % similar 5,6-Dimethyl-2-benzothiazolamine29927-08-047 % similar 2-Amino-6-bromobenzothiazole15864-32-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-8 4-Chloro-7-methylthieno(3,2-d)pyrimidine175137-21-0 2-Amino-4-chlorobenzothiazole19952-47-7 5-Chloro-2-mercaptobenzimidazole25369-78-2 4-Chloro-5-methylthieno[2,3-d]pyrimidine43088-67-1 4-Chloro-2-methylthieno[2,3-d]pyrimidine56843-79-9 2-Amino-6-chlorobenzothiazole95-24-9

Elsewhere

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