Chemical Properties of 1,5-Benzothiazepin-4(5H)-one, 2-methyl- (CAS 63870-02-0)

1,5-Benzothiazepin-4(5H)-one, 2-methyl-

InChI
InChI=1S/C10H9NOS/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-6H,1H3,(H,11,12)
InChI Key
XMCREDZXYDRQBF-UHFFFAOYSA-N
Formula
C10H9NOS
SMILES
CC1=CC(O)=Nc2ccccc2S1
Molecular Weight1
191.25
CAS
63870-02-0
Other Names
  • 2-Methyl-1,5-benzothiazepin-4(5H)-one
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Physical Properties

Property Value Unit Source
ω 0.5434 Relay (1.0) Calculated Property
ΔfG° 240.84 kJ/mol Joback Calculated Property
ΔfH°gas 19.48 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 22.72 kJ/mol Joback Calculated Property
ΔvapH° 106.87 kJ/mol Relay (1.0) Calculated Property
IE 7.64 eV Relay (1.0) Calculated Property
log10WS -3.29 Relay (1.0) Calculated Property
logPoct/wat 3.284 Crippen Calculated Property
McVol 140.740 ml/mol McGowan Calculated Property
Pc 4328.25 kPa Joback Calculated Property
Tboil 597.91 K Relay (1.0) Calculated Property
Tc 862.20 K Relay (1.0) Calculated Property
Tfus 450.29 K Relay (1.0) Calculated Property
Vc 0.469 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [353.54; 410.11] J/mol×K [681.80; 927.39] Show Hide
Cp,gas 353.54 J/mol×K 681.80 Joback Calculated Property
Cp,gas 365.20 J/mol×K 722.73 Joback Calculated Property
Cp,gas 375.91 J/mol×K 763.66 Joback Calculated Property
Cp,gas 385.72 J/mol×K 804.59 Joback Calculated Property
Cp,gas 394.67 J/mol×K 845.53 Joback Calculated Property
Cp,gas 402.78 J/mol×K 886.46 Joback Calculated Property
Cp,gas 410.11 J/mol×K 927.39 Joback Calculated Property

Similar Compounds

Uridine, 5-iodo-. Thiazesim. xanthosine, TMS. DILTIAZEM, M(ODESMETHYL-), AC. Diltiazem. Cytosine arabinoside, dimethyl-TMS derivative. 1-Oxo-2-(3-phenylrhodanin-5-ylidene)-3-pyridinium-4-naphthoxide. oxazolam, acetylated. 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. 5-methyluridine, 2',3',5'-tris(O-TMSi). 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. 5-Methyluridine, tris(trimethylsilyl) deriv.. Cytidine, methyl-TMS derivative. Cytosine arabinoside, methyl-TMS derivative. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate].

Find more compounds similar to 1,5-Benzothiazepin-4(5H)-one, 2-methyl-.

Sources

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