Chemical Properties of 2-Methyl-5-phenyl-6a-thiathiophthene (CAS 1016-98-4)

2-Methyl-5-phenyl-6a-thiathiophthene

InChI
InChI=1S/C12H10S3/c1-9-7-11-8-12(14-15(11)13-9)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key
PLHURWKLVJJSMF-UHFFFAOYSA-N
Formula
C12H10S3
SMILES
CC1=CC2=S(S1)SC(c1ccccc1)=C2
Molecular Weight1
250.40
CAS
1016-98-4
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Physical Properties

Property Value Unit Source
ω 0.2864 Relay (1.0) Calculated Property
ΔfG° 388.50 kJ/mol Joback Calculated Property
ΔfH°gas 382.12 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 21.98 kJ/mol Joback Calculated Property
ΔvapH° 89.70 kJ/mol Relay (1.0) Calculated Property
IE 7.43 eV NIST
log10WS -4.93 Relay (1.0) Calculated Property
logPoct/wat 4.696 Crippen Calculated Property
McVol 174.910 ml/mol McGowan Calculated Property
Pc 3543.08 kPa Joback Calculated Property
Tboil 606.76 K Relay (1.0) Calculated Property
Tc 862.56 K Relay (1.0) Calculated Property
Tfus 376.75 K Relay (1.0) Calculated Property
Vc 0.613 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [406.68; 475.73] J/mol×K [689.03; 990.51] Show Hide
Cp,gas 406.68 J/mol×K 689.03 Joback Calculated Property
Cp,gas 421.17 J/mol×K 739.28 Joback Calculated Property
Cp,gas 434.26 J/mol×K 789.52 Joback Calculated Property
Cp,gas 446.10 J/mol×K 839.77 Joback Calculated Property
Cp,gas 456.86 J/mol×K 890.02 Joback Calculated Property
Cp,gas 466.68 J/mol×K 940.26 Joback Calculated Property
Cp,gas 475.73 J/mol×K 990.51 Joback Calculated Property

Similar Compounds

2-Methylthio-5-phenyl-6a-thiathiophthene. [1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV, 2,5-diphenyl-. Lysergol. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. Erythromycin, ethyl carbonate. Glyceollin III, TMS. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Retroisosenine. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Tinctorine. Sophoramine. Glyceollin V, TMS. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Retroisosensine.

Find more compounds similar to 2-Methyl-5-phenyl-6a-thiathiophthene.

Sources

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