Chemical Properties of 2(3H)-Benzothiazolethione, 6-ethoxy- (CAS 120-53-6)

2(3H)-Benzothiazolethione, 6-ethoxy-

InChI
InChI=1S/C9H9NOS2/c1-2-11-6-3-4-7-8(5-6)13-9(12)10-7/h3-5H,2H2,1H3,(H,10,12)
InChI Key
HOASVNMVYBSLSU-UHFFFAOYSA-N
Formula
C9H9NOS2
SMILES
CCOc1ccc2nc(S)sc2c1
Molecular Weight1
211.30
CAS
120-53-6
Other Names
  • 2-Mercapto-6-ethoxybenzothiazole
  • 6-Ethoxy-2-mercaptobenzothiazole
  • USAF pd-58
  • 2-Benzothiazolethiol, 6-ethoxy-
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Physical Properties

Property Value Unit Source
IE 7.66 eV Relay (1.0) Calculated Property
log10WS -4.15 Relay (1.0) Calculated Property
logPoct/wat 2.984 Crippen Calculated Property
McVol 147.300 ml/mol McGowan Calculated Property
Tboil 579.14 K Relay (1.0) Calculated Property
Tfus 465.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Ethoxzolamide. 2-Benzothiazolamine, 6-methoxy-. 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE. N-(6-Methoxy-1,3-benzothiazol-2-yl)acetamide. 2,2,2-Trifluoro-N-(6-Methoxy-1,3-benzothiazol-2-yl)acetamide. N-(6-Methoxy-1,3-benzothiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide. N-(6-Methoxy-1,3-benzothiazol-2-yl)-2,2,3,3,4,4,4-heptafluorobutanamide. propyl-cannabinolic acid, TMS. xanthosine, TMS. 2-Hydroxy-2-phenylethylamine, ferrocenylboronate. Nomifensine M(HO-methoxy), diacetylated. deoxyinosine, TMS. Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-1'-methyl-, (R)-. propyl-cannabinolic acid, n-butyl-boronate. 6-Tetrahydrocannabinol, 7-hydroxy, allyl-DMS.

Find more compounds similar to 2(3H)-Benzothiazolethione, 6-ethoxy-.

Sources

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