2-Amino-4-chlorobenzothiazole

C7H5ClN2SCAS 19952-47-7184.64 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
203 °C
Water solubility
< 1 g/L (20 °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 45 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
19952-47-7
SMILES
N=c1[nH]c2c(Cl)cccc2s1
InChIKey
OEQQFQXMCPMEIH-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)

Weigh it out

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

Names and synonyms

8 names
  • 2-Benzothiazolamine, 4-chloro-
  • Benzothiazole, 2-amino-4-chloro-
  • 4-Chloro-2-benzothiazolamine
  • 4-Chloro-1,3-benzothiazol-2-ylamine
  • (4-Chlorobenzothiazol-2-yl)amine
  • 4-Chloro-1,3-benzothiazol-2-amine
  • 2-Amino-4-chloro-1,3-benzothiazole
  • 4-Chlorobenzo[d]thiazol-2-amine

Work with 2-Amino-4-chlorobenzothiazole

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

4-Bromo-1,3-benzothiazol-2-amine20358-02-563 % similar 2-Amino-4-methylbenzothiazole1477-42-561 % similar 2-Amino-4-benzothiazolol7471-03-661 % similar 2-Amino-5,6-dichlorobenzothiazole24072-75-156 % similar 4-Methoxy-2-benzothiazolamine5464-79-956 % similar 2-Aminobenzothiazole136-95-852 % similar Ska-3140172-65-450 % similar 6,7-Dichloro-2-benzothiazolamine25150-27-043 % 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 5-Chloro-2-benzothiazolamine20358-00-3 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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