Chemical Properties of Anthranilic acid, n-[(2-thioxo-benzothiazolin-3-yl)methyl]- (CAS 73791-26-1)

Anthranilic acid, n-[(2-thioxo-benzothiazolin-3-yl)methyl]-

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InChI
InChI=1S/C15H12N2O2S2/c18-14(19)10-5-1-2-6-11(10)16-9-17-12-7-3-4-8-13(12)21-15(17)20/h1-8,16H,9H2,(H,18,19)
InChI Key
VDHLXPKGMXLEFH-UHFFFAOYSA-N
Formula
C15H12N2O2S2
SMILES
O=C(O)c1ccccc1NCn1c(=S)sc2ccccc21
Molecular Weight1
316.40
CAS
73791-26-1
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Physical Properties

Property Value Unit Source
ω 0.8724 Relay (... Calculated Property
ΔfG° 128.39 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -36.48 kJ/mol Relay (... Calculated Property
ΔvapH° 164.08 kJ/mol Relay (... Calculated Property
IE 7.36 eV Relay (... Calculated Property
log10WS -4.44 Relay (... Calculated Property
logPoct/wat 4.200 Crippen Calculated Property
McVol 219.630 ml/mol McGowan Calculated Property
Pc 3852.18 kPa Relay (... Calculated Property ⚠️
Tboil 712.27 K Relay (... Calculated Property
Tc 1114.94 K Relay (... Calculated Property
Tfus 516.58 K Relay (... Calculated Property
Vc 0.745 m3/kmol Relay (... Calculated Property

Similar Compounds

risperidone. norbormide. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Shinflavanone. 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. Ergocristine.

Find more compounds similar to Anthranilic acid, n-[(2-thioxo-benzothiazolin-3-yl)methyl]-.

Sources

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