2,1,3-Benzothiadiazol-4-amine

C6H5N3SCAS 767-64-6151.19 g/mol

Open in Covalent MOL file
NH2NSN
Primary amine

Properties

Molecular formula
C6H5N3S
Molar mass
151.19 g/mol
Exact mass
151.0204 Da
Melting point
68 °C
logP
1.27Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
767-64-6
SMILES
Nc1cccc2nsnc12
InChIKey
DRLGIZIAMHIQHL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2

Weigh it out

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

Names and synonyms

7 names
  • 2,1,3-Benzothiadiazole, 4-amino-
  • 4-Amino-2,1,3-benzothiadiazole
  • NSC 73013
  • Benzo[c][1,2,5]thiadiazol-4-amine
  • (Benzo[2,1,3]thiadiazol-4-yl)amine
  • Benzo[1,2,5]thiadiazol-4-ylamine
  • 2λ4δ2-2,1,3-Benzothiadiazol-4-amine

Work with 2,1,3-Benzothiadiazol-4-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

4-Bromo-2,1,3-benzothiadiazole22034-13-557 % similar 2,1,3-Benzothiadiazole273-13-250 % similar 2,1,3-Benzoxadiazol-4-amine767-63-550 % similar 5-Chloro-4-amino-2,1,3-benzothiadiazole115398-34-047 % similar 5-Chloro-4-amino-2,1,3-benzothiadiazole30536-19-747 % similar 4-Nitro-2,1,3-benzothiadiazole6583-06-846 % similar 2,1,3-Benzothiadiazole-4-sulfonyl chloride73713-79-846 % similar 5-Aminoquinoline611-34-745 % 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-5-amine874-37-3

Elsewhere

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