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
ω 0.5125 Relay (1.0) Calculated Property
ΔfG° 97.16 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 12.29 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 104.45 kJ/mol Relay (1.0) Calculated Property
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
Pc 3347.17 kPa Relay (1.0-beta) Calculated Property
Tboil 579.14 K Relay (1.0) Calculated Property
Tc 839.35 K Relay (1.0) Calculated Property
Tfus 466.90 K Relay (1.0) Calculated Property
Vc 0.518 m3/kmol Relay (1.0) Calculated Property

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. propyl-cannabinolic acid, n-butyl-boronate. 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)-. deoxyinosine, TMS. N-Acetylnornarcotine.

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

Sources

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