Chemical Properties of 2(1H)-Pyrimidinethione, tetrahydro-

2(1H)-Pyrimidinethione, tetrahydro-

InChI
InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
InChI Key
NVHNGVXBCWYLFA-UHFFFAOYSA-N
Formula
C4H8N2S
SMILES
S=C1NCCCN1
Molecular Weight1
116.19
Other Names
  • Cyclic propylene thiourea
  • Hexahydropyrimidine-2-thione
  • N,N'-Trimethylenethiourea
  • Tetrahydro-2(1H)-pyrimidinethione
  • Tetrahydropyrimidine-2-thione
  • Thiourea, N,N'-1,3-propanediyl-
  • 1,3-Propylenethiourea
  • 1,4,5,6-Tetrahydro-2-pyrimidinethiol
  • 2-Mercapto-1,4,5,6-tetrahydropyrimidine
  • 2-Mercapto-3,4,5,6-tetrahydropyrimidine
  • 2-Mercaptotetrahydropyrimidine
  • 3,4,5,6-Tetrahydro-2-pyrimidinethiol
  • Perhydropyrimidine-2-thione
  • 3,4,5,6-Tetrahydro-2(1H)-pyrimidinethione
  • NSC 21316
  • 3,4,5,6-tetrahydropyrimidine-2-thiol
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Physical Properties

Property Value Unit Source
ΔfusH° 22.09 kJ/mol Joback Calculated Property
IE 7.76 eV Relay (1.0) Calculated Property
log10WS -1.33 Relay (1.0) Calculated Property
logPoct/wat -0.146 Crippen Calculated Property
McVol 88.370 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [98.47; 258.32] 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-2.10700e+01
Coefficient B5.15590e-01
Coefficient C-3.02800e-04
Coefficient D6.66000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 98.47 J/mol×K 273.00 Calculated Property
Cp,gas 126.39 J/mol×K 353.78 Calculated Property
Cp,gas 151.27 J/mol×K 434.56 Calculated Property
Cp,gas 173.33 J/mol×K 515.33 Calculated Property
Cp,gas 192.79 J/mol×K 596.11 Calculated Property
Cp,gas 209.85 J/mol×K 676.89 Calculated Property
Cp,gas 224.72 J/mol×K 757.67 Calculated Property
Cp,gas 237.61 J/mol×K 838.44 Calculated Property
Cp,gas 248.74 J/mol×K 919.22 Calculated Property
Cp,gas 258.32 J/mol×K 1000.00 Calculated Property

Similar Compounds

N-propylurea. Thiourea, N,N'-dibutyl-. N,N'-Di-sec-butylthiourea. 1-Methylhexahydropyrimidine. Urea], 1,1'-trimethylenebis[3-methyl-3-nitroso-. Thiourea, N,N'-diethyl-. Homopiperazine. 2,4(1H,3H)-Pyrimidinedione, dihydro-. 1,4,8,11-Tetraazacyclotetradecane. 1,3-Propanediamine, N,N'-bis(2-aminoethyl)-. UREA, N-BUTYL-N'-METHYL-. N,N'-Di-n-butylurea. 2(1H)-Pyrimidinethione, tetrahydro-1,3-dimethyl-. Urea, propyl-. N-Methyl-1,3-propanediamine.

Find more compounds similar to 2(1H)-Pyrimidinethione, tetrahydro-.

Sources

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