Chemical Properties of 5-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide

5-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide

InChI
InChI=1S/C7H9NO5S3/c8-16(12,13)6-2-4-1-5(9)3-15(10,11)7(4)14-6/h2,5,9H,1,3H2,(H2,8,12,13)
InChI Key
APTGDJCKNMNFID-UHFFFAOYSA-N
Formula
C7H9NO5S3
SMILES
NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CC(O)C2
Molecular Weight1
283.35
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Physical Properties

Property Value Unit Source
ω 0.8073 Relay (1.0) Calculated Property
ΔfG° -444.76 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -694.67 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 129.69 kJ/mol Relay (1.0) Calculated Property
IE 9.40 eV Relay (1.0) Calculated Property
log10WS -1.54 Aq. Solubility Prediction
logPoct/wat -0.914 Crippen Calculated Property
McVol 167.550 ml/mol McGowan Calculated Property
Pc 3280.83 kPa Relay (1.0-beta) Calculated Property
Tboil 694.72 K Relay (1.0) Calculated Property
Tc 1030.89 K Relay (1.0) Calculated Property
Tfus 457.30 K Relay (1.0) Calculated Property
Vc 0.589 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

ethyl eburnamenine-14-carboxylate. Gelsemine. Pumiline A. Axillarine. Mucronatinine. Methysergide. Heptafluorobutyryl-codeine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 5-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide.

Sources

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