Chemical Properties of 2-Phenylbenzo-1,4-thiazane-3-one (CAS 38533-19-6)

2-Phenylbenzo-1,4-thiazane-3-one

InChI
InChI=1S/C14H11NOS/c16-14-13(10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)15-14/h1-9,13H,(H,15,16)
InChI Key
DLALSZUJBMNOHZ-UHFFFAOYSA-N
Formula
C14H11NOS
SMILES
O=C1Nc2ccccc2SC1c1ccccc1
Molecular Weight1
241.31
CAS
38533-19-6
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Physical Properties

Property Value Unit Source
ΔfH°gas 73.39 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.50 kJ/mol Joback Calculated Property
IE 7.56 eV Relay (1.0) Calculated Property
log10WS -3.46 Relay (1.0) Calculated Property
logPoct/wat 3.472 Crippen Calculated Property
McVol 177.640 ml/mol McGowan Calculated Property
Tboil 645.31 K Relay (1.0) Calculated Property
Tfus 464.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [210.20; 539.71] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.35400e+01
Coefficient B1.09051e+00
Coefficient C-6.21060e-04
Coefficient D1.13800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 210.20 J/mol×K 273.00 Calculated Property
Cp,gas 269.57 J/mol×K 353.78 Calculated Property
Cp,gas 322.41 J/mol×K 434.56 Calculated Property
Cp,gas 369.08 J/mol×K 515.33 Calculated Property
Cp,gas 409.94 J/mol×K 596.11 Calculated Property
Cp,gas 445.35 J/mol×K 676.89 Calculated Property
Cp,gas 475.67 J/mol×K 757.67 Calculated Property
Cp,gas 501.27 J/mol×K 838.44 Calculated Property
Cp,gas 522.49 J/mol×K 919.22 Calculated Property
Cp,gas 539.71 J/mol×K 1000.00 Calculated Property

Similar Compounds

5-Methyluridine, tris(trifluoroacetate). Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl. narwedine. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TFA. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TFA. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TMS. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl. Uridine, 2',5'-bis-O-TBDMS, 3'-O-TFA. xanthosine-5'-monophosphate, TMS.

Find more compounds similar to 2-Phenylbenzo-1,4-thiazane-3-one.

Sources

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