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

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

InChI
InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-5-7(14-6)4(9)1-2-15(5,10)11/h3-4,9H,1-2H2,(H2,8,12,13)
InChI Key
LNVGTRNKWNAINT-UHFFFAOYSA-N
Formula
C7H9NO5S3
SMILES
NS(=O)(=O)c1cc2c(s1)C(O)CCS2(=O)=O
Molecular Weight1
283.35
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.8026 Relay (1.0) Calculated Property
ΔfG° -457.31 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -703.98 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 134.42 kJ/mol Relay (1.0) Calculated Property
IE 9.35 eV Relay (1.0) Calculated Property
log10WS -1.28 Aq. Solubility Prediction
logPoct/wat -0.394 Crippen Calculated Property
McVol 167.550 ml/mol McGowan Calculated Property
Pc 3252.98 kPa Relay (1.0-beta) Calculated Property
Tboil 698.31 K Relay (1.0) Calculated Property
Tc 1035.50 K Relay (1.0) Calculated Property
Tfus 462.99 K Relay (1.0) Calculated Property
Vc 0.588 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. 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 7-hydroxy-4,4-dioxo-6,7-dihydro-5H-thieno[4,5-b]thiopyran-2-sulfonamide.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.