Accuracy

ethyne sulfenic acid   2124 Ethyne sulfenic acid

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  2114 BenzothiazoleC7H5NS
  2115 BenzenecarbothioamideC7H8NS
  2116 N,N-(Dimethyl)thiobenzamideC9H11NS
  2117 PhenothiazineC12H9NS
  2118 ThioureaCH4N2S
  2119 TetramethylthioureaC5H12N2S
  2120 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazineC10H19N5S
  2121 Sulfur monoxide (triplet)OS
  2122 HOSHOS
  2123 Carbon oxysulfideCOS
  2124 Ethyne sulfenic acid C2H2OS
  2125 Thiolacetic acidC2H4OS
  2126 Dimethyl sulfoxideC2H6OS
  2127 Dimethyl sulfoxide (Geo)C2H6OS
  2128 S-EthylthioacetateC4H8OS
  2129 Diethyl sulfoxideC4H10OS
  2130 Benzenesulfenic acidC6H6OS
  2131 Dipropyl sulfoxideC6H14OS
  2132 PhenoxathiinC12H8OS
  2133 Diphenyl sulfoxideC12H10OS
  2134 ThioxanthoneC13H8OS


ΔHf: 24.4 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
Ethyne sulfenic acid
 H=24.4 HR=NIST
  O     0.14680923 +1  -0.32138248 +1   0.40509673 +1
  S     1.80318974 +1  -0.08681192 +1   0.20095212 +1
  C     1.92788361 +1   1.55414537 +1   0.05097774 +1
  C     2.06686927 +1   2.75638265 +1  -0.05608461 +1
  H    -0.31713440 +1  -0.36567614 +1  -0.45202898 +1
  H     2.19481728 +1   3.77531211 +1  -0.14623710 +1