Accuracy

methylpropylthioether   2087 Methylpropylthioether

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    #  Species Formula
  2077 MethylethylthioetherC3H8S
  2078 ThiopheneC4H4S
  2079 Thiophene (Geo)C4H4S
  2080 2,3-DihydrothiopheneC4H6S
  2081 2,5-DihydrothiopheneC4H6S
  2082 cis DimethylthiiraneC4H8S
  2083 TetrahydrothiopheneC4H8S
  2084 trans dimethylthiiraneC4H8S
  2085 ButanethiolC4H10S
  2086 Diethyl thioetherC4H10S
  2087 Methylpropylthioether C4H10S
  2088 (CH3CH2)2S-BH3H13BC4S
  2089 CyclopentanthiolC5H10S
  2090 ThiacyclohexaneC5H10S
  2091 ThiophenolC6H6S
  2092 CyclohexanethiolC6H12S
  2093 2,3-Dimethyl-2-butanethiolC6H14S
  2094 2-Methyl-2-pentanethiolC6H14S
  2095 Butyl ethyl sulfideC6H14S
  2096 Methyl pentyl sulfideC6H14S
  2097 Methyl phenyl sulfideC7H8S


ΔHf: -19.5 kcal/mol,     REF: H. Mackle, P. A. G. O'Hare, Tetrahedron, 19, 961 (1963).
  
 PM7
Methylpropylthioether
 H=-19.5 HR=MO1963
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.82229712 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.84029123 +1  101.8367500 +1    0.0000000 +0     2     1     0
  C     1.52731950 +1  109.1468001 +1  179.7840381 +1     3     2     1
  C     1.53118019 +1  109.8893163 +1  179.9514895 +1     4     3     2
  H     1.09626609 +1  111.0361462 +1  179.9167366 +1     5     4     3
  H     1.09570614 +1  111.5749453 +1   60.1470695 +1     5     4     3
  H     1.09569568 +1  111.5651596 +1  -60.3237482 +1     5     4     3
  H     1.10887535 +1  110.9963542 +1   58.6813830 +1     4     3     2
  H     1.10888250 +1  111.0012277 +1  -58.7582785 +1     4     3     2
  H     1.10387320 +1  109.8000700 +1   58.3430282 +1     3     2     1
  H     1.10389957 +1  109.7802353 +1  -58.7720838 +1     3     2     1
  H     1.09729725 +1  107.8993264 +1 -179.9148606 +1     1     2     3
  H     1.09376721 +1  112.0288638 +1   61.3217338 +1     1     2     3
  H     1.09377394 +1  112.0429625 +1  -61.1400346 +1     1     2     3