Accuracy

1,3-dithiolan-2-thione   2295 1,3-Dithiolan-2-thione

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

    

    #  Species Formula
  2285 SiC2S2 (GUMZUJ)C8H10SiS2
  2286 SiO2S2N (EBUPIA) (Geo)C17H17NO4SiS2
  2287 SiO2S2N (EBUPIA)C17H17NO4SiS2
  2288 Si2C4S2 (CADLOI) (Geo)C4H12Si2S2
  2289 Si2C4S2 (CADLOI)C4H12Si2S2
  2290 Sulfur, trimer (open chain)S3
  2291 HS3HS3
  2292 Hydrogen trisulfideHS3
  2293 2,3,4-TrithiapentaneC2H6S3
  2294 1,3-Dithiol-2-thioneC3H2S3
  2295 1,3-Dithiolan-2-thione C3H4S3
  2296 TrimethylthioboraneH9BC3S3
  2297 TriethylthioboraneH15BC6S3
  2298 1,3-Benzodithiole-2-thioneC7H4S3
  2299 3H-1,2-Benzodithiole-3-thioneC7H4S3
  2300 4,5-Tetramethylene-1,3-dithiol-2-thioneC7H8S3
  2301 Tri-n-propylthioboraneH21BC9S3
  2302 TriphenylthioboraneH15BC18S3
  2303 Sulfur tetramerS4
  2304 Sulfur, tetramer (open chain)S4
  2305 Hydrogen tetrasulfideH2S4


ΔHf: 22.7 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
I.P.: 8.4 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
1,3-Dithiolan-2-thione
 HR=JANAF86 H=22.7 I=8.40 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.77064936 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.84143931 +1   98.7241769 +1    0.0000000 +0     2     1     0
  C     1.51338353 +1  110.5303618 +1  -24.0560073 +1     3     2     1
  S     1.84142483 +1  110.5535858 +1   31.4384201 +1     4     3     2
  S     1.59431249 +1  123.5154408 +1 -172.4939239 +1     1     2     3
  H     1.10844641 +1  108.8485329 +1   99.0788575 +1     3     2     1
  H     1.10801569 +1  107.9295930 +1 -146.2766638 +1     3     2     1
  H     1.10795965 +1  111.5664042 +1  151.4580883 +1     4     3     2
  H     1.10836056 +1  111.7922576 +1  -89.9055650 +1     4     3     2