Chemical Properties of 3-Pyridinol, 2-(methylthio)-, acetate (ester) (CAS 42715-30-0)

3-Pyridinol, 2-(methylthio)-, acetate (ester)

InChI
InChI=1S/C8H9NO2S/c1-6(10)11-7-4-3-5-9-8(7)12-2/h3-5H,1-2H3
InChI Key
ROICIIOLSQXXLP-UHFFFAOYSA-N
Formula
C8H9NO2S
SMILES
CSc1ncccc1OC(C)=O
Molecular Weight1
183.23
CAS
42715-30-0
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Physical Properties

Property Value Unit Source
ω 0.4960 Relay (1.0) Calculated Property
ΔfG° -104.86 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -237.99 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 71.37 kJ/mol Relay (1.0) Calculated Property
IE 7.91 ± 0.05 eV NIST
log10WS -1.64 Relay (1.0) Calculated Property
logPoct/wat 1.729 Crippen Calculated Property
McVol 133.590 ml/mol McGowan Calculated Property
Pc 3589.04 kPa Relay (1.0-beta) Calculated Property
Tboil 531.84 K Relay (1.0) Calculated Property
Tc 751.71 K Relay (1.0) Calculated Property
Tfus 293.45 K Relay (1.0) Calculated Property
Vc 0.474 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3-Pyridinol, 2-(methylthio)-. 2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-acetyl. 2'-Deoxyadenosine, 3'-O-acetyl, 5'-O-TBDMS. Trp isoBOC TBDMS. Pindolol, N-ethoxycarbonylated, TMS. 9H-purine, 2,6-dichloro-9-beta-d-ribofuranosyl-, 2',3',5'-triacetate. Spiro[benzofuran-3(2h),4'-piperidine]-2-one, 5-methyl-. Thiazolo[3,2-a]pyridinium, 2,3-dihydro-8-hydroxy-, hydroxide, inner salt. Scopoletin «beta»-D-glucopyranoside, TFA. 9H-purine, 6-chloro-9-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-. N6-acetyl-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-acetyl. Isothipendyl M (bis-nor-), acetylated. 2'-Deoxyadenosine, 3',5'-bis(O-TMTBSi). 2'-Deoxyadenosine, 3',5'-bis-O-cyclotetramethylene-isopropylsilyl. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone.

Find more compounds similar to 3-Pyridinol, 2-(methylthio)-, acetate (ester).

Sources

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