Chemical Properties of Isothipendyl M (nor-), acetylated

Isothipendyl M (nor-), acetylated

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InChI
InChI=1S/C17H19N3OS/c1-12(19(3)13(2)21)11-20-14-7-4-5-8-15(14)22-16-9-6-10-18-17(16)20/h4-10,12H,11H2,1-3H3
InChI Key
REHPXIVERWVYDK-UHFFFAOYSA-N
Formula
C17H19N3OS
SMILES
CC(=O)N(C)C(C)CN1c2ccccc2Sc2cccnc21
Molecular Weight1
313.42
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Physical Properties

Property Value Unit Source
ω 0.6426 Relay (... Calculated Property
ΔfG° 327.51 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas 48.56 kJ/mol Relay (... Calculated Property
ΔvapH° 117.96 kJ/mol Relay (... Calculated Property
IE 7.70 eV Relay (... Calculated Property
log10WS -3.18 Relay (... Calculated Property
logPoct/wat 3.551 Crippen Calculated Property
McVol 239.870 ml/mol McGowan Calculated Property
Pc 2372.70 kPa Relay (... Calculated Property ⚠️
Inp 2600.00 NIST
Tboil 694.13 K Relay (... Calculated Property
Tc 986.66 K Relay (... Calculated Property
Tfus 392.54 K Relay (... Calculated Property
Vc 0.853 m3/kmol Relay (... Calculated Property

Similar Compounds

Isothipendyl M (nor-hydroxy-), acetylated. Isothipendyl M (bis-nor-), acetylated. Isothipendyl. Isothipendyl M (hydroxy-), acetylated. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 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 Isothipendyl M (nor-), acetylated.

Sources

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