Chemical Properties of 2-(3',4'-Methylenedioxy)phenyl-4-keto-1,3-benzothioxane (CAS 97192-88-6)

2-(3',4'-Methylenedioxy)phenyl-4-keto-1,3-benzothioxane

InChI
InChI=1S/C15H10O4S/c16-14-10-3-1-2-4-13(10)20-15(19-14)9-5-6-11-12(7-9)18-8-17-11/h1-7,15H,8H2
InChI Key
FFXRKNMJMJPRBJ-UHFFFAOYSA-N
Formula
C15H10O4S
SMILES
O=C1OC(c2ccc3c(c2)OCO3)Sc2ccccc21
Molecular Weight1
286.30
CAS
97192-88-6
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Physical Properties

Property Value Unit Source
ω 0.6067 Relay (1.0) Calculated Property
ΔfG° 47.37 kJ/mol Joback Calculated Property
ΔfH°gas -388.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.72 kJ/mol Joback Calculated Property
ΔvapH° 114.12 kJ/mol Relay (1.0) Calculated Property
IE 7.99 eV Relay (1.0) Calculated Property
log10WS -4.70 Relay (1.0) Calculated Property
logPoct/wat 3.377 Crippen Calculated Property
McVol 188.500 ml/mol McGowan Calculated Property
Pc 3376.28 kPa Joback Calculated Property
Tboil 673.56 K Relay (1.0) Calculated Property
Tc 996.89 K Relay (1.0) Calculated Property
Tfus 411.32 K Relay (1.0) Calculated Property
Vc 0.720 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [543.41; 607.38] J/mol×K [829.82; 1116.87] Show Hide
Cp,gas 543.41 J/mol×K 829.82 Joback Calculated Property
Cp,gas 556.84 J/mol×K 877.66 Joback Calculated Property
Cp,gas 568.98 J/mol×K 925.50 Joback Calculated Property
Cp,gas 579.97 J/mol×K 973.35 Joback Calculated Property
Cp,gas 589.94 J/mol×K 1021.19 Joback Calculated Property
Cp,gas 599.03 J/mol×K 1069.03 Joback Calculated Property
Cp,gas 607.38 J/mol×K 1116.87 Joback Calculated Property

Similar Compounds

Zinc octaethylporphyrin chloride. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Tetrahydrocannabinol. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Isooctylhydrocupreine. 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 2-(3',4'-Methylenedioxy)phenyl-4-keto-1,3-benzothioxane.

Sources

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