chempirical

2,1,3-Benzothiadiazol-5-amine

C6H5N3SCAS 874-37-3151.19 g/mol

Open in Covalent MOL file
NSNH2N
Primary amine

Properties

Molecular formula
C6H5N3S
Molar mass
151.19 g/mol
Exact mass
151.0204 Da
logP
1.27Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
874-37-3
SMILES
C1=CC2=NSN=C2C=C1N
InChIKey
JRJPKRSKPOCUEV-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2

Weigh it out

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

Work with 2,1,3-Benzothiadiazol-5-amine

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

6-Aminoquinoxaline6298-37-952 % similar 5-Bromo-benzo[2,1,3]thiadiazole1753-75-950 % similar 5-Fluorobenzo-2,1,3-thiadiazole17821-75-950 % similar 5-Chlorobenzo-2,1,3-thiadiazole2207-32-150 % similar 2,1,3-Benzothiadiazole273-13-246 % similar 5-Benzothiazolamine1123-93-945 % similar 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole17754-05-145 % similar 6-Benzothiazolamine533-30-245 % similar

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

Same formula

Thiazolo[4,5-B]pyridin-2-amine13575-41-2 Benzo[D][1,2,3]thiadiazol-6-amine41972-62-7 2,1,3-Benzothiadiazol-4-amine767-64-6

Elsewhere

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