Accuracy

methyl pentyl sulfide   2096 Methyl pentyl sulfide

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    #  Species Formula
  2086 Diethyl thioetherC4H10S
  2087 MethylpropylthioetherC4H10S
  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 sulfide C6H14S
  2097 Methyl phenyl sulfideC7H8S
  2098 ToluenethiolC7H8S
  2099 3(tert-Butyl)-1-propeneC7H14S
  2100 1-HeptanethiolC7H16S
  2101 Benzyl methyl sulfideC8H10S
  2102 Ethyl phenyl sulfideC8H10S
  2103 Di-tert-butyl sulfideC8H18S
  2104 Diisobutyl sulfideC8H18S
  2105 Diphenyl sulfideC12H10S
  2106 Sulfur nitride (Geo)NS


ΔHf: -29.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Methyl pentyl sulfide
 H=-29.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.82155848 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.84015302 +1  101.8708180 +1    0.0000000 +0     2     1     0
  C     1.52662182 +1  108.8841364 +1  179.7453174 +1     3     2     1
  C     1.53705745 +1  109.8610022 +1  179.8943865 +1     4     3     2
  C     1.53468728 +1  110.5236578 +1  179.9118349 +1     5     4     3
  C     1.52851488 +1  110.8192528 +1  179.9778866 +1     6     5     4
  H     1.09375351 +1  112.0649192 +1   61.1548866 +1     1     2     3
  H     1.09382532 +1  112.0559741 +1 -122.5062295 +1     1     2     8
  H     1.09734484 +1  107.9072975 +1 -118.7333367 +1     1     2     9
  H     1.10407341 +1  109.7499998 +1 -121.2632915 +1     3     2     4
  H     1.10380119 +1  109.7653468 +1 -117.4015914 +1     3     2    11
  H     1.10851634 +1  111.0285804 +1  121.3236848 +1     4     3     5
  H     1.10861373 +1  111.0050517 +1  117.4598374 +1     4     3    13
  H     1.10567015 +1  110.1956418 +1 -121.7742603 +1     5     4     6
  H     1.10577090 +1  110.1711618 +1 -116.5501543 +1     5     4    15
  H     1.10644906 +1  110.0340422 +1  121.8942441 +1     6     5     7
  H     1.10656499 +1  110.0149162 +1  116.2472936 +1     6     5    17
  H     1.09566715 +1  111.4655732 +1  -60.2217677 +1     7     6     5
  H     1.09569938 +1  111.4711158 +1  120.1655559 +1     7     6    19
  H     1.09570454 +1  111.2206463 +1  119.9027211 +1     7     6    20