Accuracy

thioethanol   1474 Thioethanol

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    #  Species Formula
  1464 Methanethio radicalCH3S
  1465 Thiomethanol (Geo)CH4S
  1466 ThiomethanolCH4S
  1467 Thioketene, H2CCSC2H2S
  1468 C2H3SC2H3S
  1469 Thioacetaldehyde (Geo)C2H4S
  1470 ThiiraneC2H4S
  1471 Thioethanol (Geo)C2H6S
  1472 Dimethyl thioetherC2H6S
  1473 Dimethyl thioether (Geo)C2H6S
  1474 Thioethanol C2H6S
  1475 ThietaneC3H6S
  1476 1-PropanthiolC3H8S
  1477 IsopropanthiolC3H8S
  1478 MethylethylthioetherC3H8S
  1479 ThiopheneC4H4S
  1480 Thiophene (Geo)C4H4S
  1481 2,3-DihydrothiopheneC4H6S
  1482 2,5-DihydrothiopheneC4H6S
  1483 cis DimethylthiiraneC4H8S
  1484 TetrahydrothiopheneC4H8S


ΔHf: -11.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.5 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 9.2 eV,     REF: I. Omura, K. Higasi, H. Baba, Bull. Chem. Soc. Japan, 29, 504 (1956).
  

Thioethanol
 I=9.21 D=1.52 H=-11.0 HR=C&P1970 IR=OHB1956 DR=MCC1974 S=70.79 CP=17.71
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51823322 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09915756 +1  112.5336091 +1    0.0000000 +0     2     1     0
  H     1.09923184 +1  112.4296899 +1  121.1825293 +1     2     1     3
  H     1.09914723 +1  110.7888308 +1 -119.4287680 +1     2     1     3
  H     1.10462137 +1  110.8322165 +1   61.1248829 +1     1     2     3
  H     1.10462847 +1  110.8301760 +1 -179.9380175 +1     1     2     3
  S     1.84591469 +1  108.9632469 +1  -59.4173897 +1     1     2     3
  H     1.33766764 +1   99.5727851 +1  179.7645953 +1     8     1     2