Chemical Properties of Isothipendyl M (bis-nor-), acetylated

Isothipendyl M (bis-nor-), acetylated

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InChI
InChI=1S/C16H17N3OS/c1-11(18-12(2)20)10-19-13-6-3-4-7-14(13)21-15-8-5-9-17-16(15)19/h3-9,11H,10H2,1-2H3,(H,18,20)
InChI Key
XASMCFUVQVGXLB-UHFFFAOYSA-N
Formula
C16H17N3OS
SMILES
CC(=O)NC(C)CN1c2ccccc2Sc2cccnc21
Molecular Weight1
299.39
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Physical Properties

Property Value Unit Source
ω 0.6606 Relay (... Calculated Property
ΔfG° 273.27 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas 17.06 kJ/mol Relay (... Calculated Property
ΔvapH° 116.94 kJ/mol Relay (... Calculated Property
IE 7.75 eV Relay (... Calculated Property
log10WS -3.71 Relay (... Calculated Property
logPoct/wat 3.209 Crippen Calculated Property
McVol 225.780 ml/mol McGowan Calculated Property
Pc 2629.99 kPa Relay (... Calculated Property ⚠️
Inp 2520.00 NIST
Tboil 691.33 K Relay (... Calculated Property
Tc 1000.88 K Relay (... Calculated Property
Tfus 394.56 K Relay (... Calculated Property
Vc 0.794 m3/kmol Relay (... Calculated Property

Similar Compounds

Isothipendyl M (nor-), acetylated. Isothipendyl M (nor-hydroxy-), acetylated. 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 Isothipendyl M (bis-nor-), acetylated.

Sources

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