Cas no 21224-17-9 (2(3H)-Benzothiazolethione,6-ethyl-)

2(3H)-Benzothiazolethione,6-ethyl- structure
21224-17-9 structure
Product Name:2(3H)-Benzothiazolethione,6-ethyl-
CAS No:21224-17-9
MF:C9H9NS2
MW:195.30445933342
CID:242129
Update Time:2024-01-26

2(3H)-Benzothiazolethione,6-ethyl- Chemical and Physical Properties

Names and Identifiers

    • 2(3H)-Benzothiazolethione,6-ethyl-
    • 2-Benzothiazolinethione,6-ethyl- (8CI)
    • 2(3H)-Benzothiazolethione,6-ethyl-(9CI)
    • 2(3H)-Benzothiazolethione, 6-ethyl-
    • Inchi: 1S/C9H9NS2/c1-2-6-3-4-7-8(5-6)12-9(11)10-7/h3-5H,2H2,1H3,(H,10,11)
    • InChI Key: LEPCXHJXNAUYNN-UHFFFAOYSA-N
    • SMILES: S1C2=CC(CC)=CC=C2NC1=S

Computed Properties

  • Exact Mass: 195.01777

Experimental Properties

  • Density: 1.33±0.1 g/cm3(Predicted)
  • Boiling Point: 331.6±35.0 °C(Predicted)
  • PSA: 12.03
  • pka: 9.83±0.20(Predicted)
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