Cas no 23289-12-5 (1,3,4-Thiadiazol-2-amine, N-(phenylmethyl)-)

1,3,4-Thiadiazol-2-amine, N-(phenylmethyl)- structure
23289-12-5 structure
Product Name:1,3,4-Thiadiazol-2-amine, N-(phenylmethyl)-
CAS No:23289-12-5
MF:C9H9N3S
MW:191.252859830856
CID:1413960
Update Time:2024-08-15

1,3,4-Thiadiazol-2-amine, N-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,4-Thiadiazol-2-amine, N-(phenylmethyl)-
    • Inchi： 1S/C9H9N3S/c1-2-4-8(5-3-1)6-10-9-12-11-7-13-9/h1-5,7H,6H2,(H,10,12)
    • InChI Key： PAZYUVYIVHXZLV-UHFFFAOYSA-N
    • SMILES： S1C=NN=C1NCC1=CC=CC=C1

Computed Properties

  • Exact Mass: 191.05187

Experimental Properties

  • Density: 1.314±0.06 g/cm3(Predicted)
  • Melting Point: 108.0-108.5 °C(Solv: hexane (110-54-3); benzene (71-43-2))
  • Boiling Point: 336.1±35.0 °C(Predicted)
  • PSA: 37.81
  • pka: 2.35±0.10(Predicted)

1,3,4-Thiadiazol-2-amine, N-(phenylmethyl)- Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Ethyl acetate ;  3 h, rt; 24 h, rt
Reference
Heterocyclization of thiocarbonohydrazides: Facile synthesis of 5-unsubstituted-1,3,4-thiadiazoles
Hassan, Alaa A.; et al, Chinese Chemical Letters, 2015, 26(9), 1183-1186

1,3,4-Thiadiazol-2-amine, N-(phenylmethyl)- Raw materials

1,3,4-Thiadiazol-2-amine, N-(phenylmethyl)- Preparation Products

1,3,4-Thiadiazol-2-amine, N-(phenylmethyl)- Related Literature

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