Chemical Properties of Isothipendyl M (hydroxy-), acetylated

Isothipendyl M (hydroxy-), acetylated

InChI
InChI=1S/C18H21N3O2S/c1-12(20(3)4)11-21-15-8-7-14(23-13(2)22)10-17(15)24-16-6-5-9-19-18(16)21/h5-10,12H,11H2,1-4H3
InChI Key
CWBFQGTZPJAVEO-UHFFFAOYSA-N
Formula
C18H21N3O2S
SMILES
CC(=O)Oc1ccc2c(c1)Sc1cccnc1N2CC(C)N(C)C
Molecular Weight1
343.44
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Physical Properties

Property Value Unit Source
ω 0.7409 Relay (1.0) Calculated Property
ΔfG° 144.98 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -136.18 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 111.67 kJ/mol Relay (1.0) Calculated Property
IE 7.36 eV Relay (1.0) Calculated Property
log10WS -3.59 Relay (1.0) Calculated Property
logPoct/wat 3.560 Crippen Calculated Property
McVol 259.830 ml/mol McGowan Calculated Property
Pc 2007.94 kPa Relay (1.0-beta) Calculated Property
Inp [2640.00; 2640.00]   Show Hide
Inp 2640.00 NIST
Inp 2640.00 NIST
Tboil 706.50 K Relay (1.0) Calculated Property
Tc 980.74 K Relay (1.0) Calculated Property
Tfus 409.51 K Relay (1.0) Calculated Property
Vc 0.922 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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

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