5-Chloro-4-amino-2,1,3-benzothiadiazole

C₆H₄ClN₃SCAS 30536-19-7185.63 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄ClN₃S
Molar mass: 185.63 g/mol
Exact mass: 184.9814 Da
Melting point: 92 °C
logP: 1.93Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

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

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

30536-19-7

SMILES

Nc1c(Cl)ccc2nsnc12

InChIKey

MURNIACGGUSMAP-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClN3S/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2

Weigh it out

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

Names and synonyms

4 names

2,1,3-Benzothiadiazol-4-amine, 5-chloro-
2,1,3-Benzothiadiazole, 4-amino-5-chloro-
5-Chloro-2,1,3-benzothiadiazol-4-amine
4-Amino-5-chloro-2,1,3-benzothiadiazole

Work with 5-Chloro-4-amino-2,1,3-benzothiadiazole

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Chloro-4-amino-2,1,3-benzothiadiazole115398-34-0

Similar compounds

2,1,3-Benzothiadiazol-4-amine767-64-647 % similar 2,6-Dichloroaniline608-31-143 % similar 4-Bromo-2,1,3-benzothiadiazole22034-13-542 % similar Tizanidine51322-75-942 % similar Tizanidine hydrochloride64461-82-140 % similar 5-Chlorobenzo-2,1,3-thiadiazole2207-32-139 % similar 2,1,3-Benzothiadiazol-5-amine874-37-339 % similar 2,1,3-Benzothiadiazole-4-sulfonyl chloride73713-79-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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