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
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
Tboil 531.84 K Relay (1.0) Calculated Property
Tfus 287.29 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

3-Pyridinol, 2-(methylthio)-. irbesartan. 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. Hexahydro-3,3,5-trimethyl-2-p-tolyl-1,4,2-diazaphosphorine-2-oxide. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone.

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

Sources

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