Chemical Properties of Ketone, 5-methoxy-4-nitro-2-thienyl methyl (CAS 78150-61-5)

Ketone, 5-methoxy-4-nitro-2-thienyl methyl

InChI
InChI=1S/C7H7NO4S/c1-4(9)6-3-5(8(10)11)7(12-2)13-6/h3H,1-2H3
InChI Key
SYMXAAJYYZNWOY-UHFFFAOYSA-N
Formula
C7H7NO4S
SMILES
COc1sc(C(C)=O)cc1[N+](=O)[O-]
Molecular Weight1
201.20
CAS
78150-61-5
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Physical Properties

Property Value Unit Source
ω 0.6090 Relay (1.0) Calculated Property
ΔfG° -37.63 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -235.46 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 71.04 kJ/mol Relay (1.0) Calculated Property
IE 9.11 eV Relay (1.0) Calculated Property
log10WS -2.80 Relay (1.0) Calculated Property
logPoct/wat 1.867 Crippen Calculated Property
McVol 131.240 ml/mol McGowan Calculated Property
Pc 3463.05 kPa Relay (1.0-beta) Calculated Property
Tboil 548.71 K Relay (1.0) Calculated Property
Tc 793.17 K Relay (1.0) Calculated Property
Tfus 378.87 K Relay (1.0) Calculated Property
Vc 0.470 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

4«alpha»-Angeloyloxy-3«beta»-hydroxylupanine. 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Cytidine, methyl-TMS derivative. Benazepril desethyl 3Me (Benazeprilate 3Me). Bialophos, N,O,O-tris(tert-butyldimethylsilyl)deriv.. 5-Methylcytosine riboside, TMS. Dimetindene. Dimetindene M (nor), acetylated. Nabilone, tert-butyldimethylsilyl ether. Sodium penicillin g. 5-O-benzoyl-n-benzyl-2,3-o-(1-methylethylidene)-n-(trifluoroacetyl)pentofuranosylamine. [7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 1H-pyrrole-3-carboxylate. Senkyunolide P. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Dihydromorphinone acetate.

Find more compounds similar to Ketone, 5-methoxy-4-nitro-2-thienyl methyl.

Sources

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