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Compare Calculated Bonds for C-S

17 01 10 14 40

LSDA/6-31G

Histogram of Bond lengths (in Å) vs number of species


Values greater than 2.05 are in the 2.05 bin. Values less than 1.50 are in the 1.50 bin.

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1.50 1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90 1.95 2.00 2.05
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.829 0.092

  Species Name Bond Length (Å)
Lowest value HCS+ Thioformyl cation 1.524
Highest value C3H4O2S 2H-Thiete-1,1-dioxide 1.986

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CS- carbon monosulfide anion 1.738 1 2
CS carbon monosulfide 1.600 1 2
CS+ carbon monosulfide cation 1.549 1 2
HCS- Thioformyl anion 1.781 1 3
HCS Thioformyl radical 1.618 1 3
HCS+ Thioformyl cation 1.524 1 3
H2CS- thioformaldehyde anion 1.765 1 2
H2CS Thioformaldehyde 1.655 1 2
H2CS+ thioformaldehyde cation 1.635 1 2
CH3S thiomethoxy 1.838 1 2
H2CSH+ Thioformaldehyde, protonated 1.669 1 2
CH3SH2+ protonated methylsulfide 1.881 1 2
OCS Carbonyl sulfide 1.602 1 3
OCS+ Carbonyl sulfide cation 1.670 1 3
SCN- thiocyanide anion 1.700 1 2
SCN thiocyanato radical 1.671 1 2
C2H4S Thiirane 1.899 1 2
    1.899 1 3
CH3CHS Thioacetaldehyde 1.667 1 3
CH3CH2SH ethanethiol 1.881 2 3
Cl2CS Thiophosgene 1.633 1 2
CH2SHCH2SH 1,2-Ethanedithiol 1.883 1 4
    1.883 2 3
CH3SSCH3 Disulfide, dimethyl 1.864 1 3
    1.864 2 4
C3H6S Thiirane, methyl- 1.916 2 4
    1.899 3 4
CH3CSCH3 Thioacetone 1.681 1 2
CH3SCH2CH3 Ethane, (methylthio)- 1.872 5 8
    1.857 8 9
CH3SO2NH2 methanesulfonamide 1.847 1 2
C2H6O2S Dimethyl sulfone 1.865 1 4
    1.865 1 5
CH2CHSCHCH2 Divinyl sulfide 1.805 1 2
    1.806 1 3
C4H6S Thiophene, 2,3-dihydro- 1.897 1 11
    1.813 7 11
C4H6S Thiophene, 2,5-dihydro- 1.888 1 2
    1.888 1 3
CH3SSSCH3 dimethyl trisulfide 1.861 2 4
    1.861 3 5
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.911 1 2
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1.886 5 11
CH3CH(SH)CH2CH3 2-Butanethiol 1.897 1 6
CH3C(SCH3)HCH3 Propane, 2-(methylthio)- 1.857 1 2
    1.888 2 3
C3H4S3 1,3-Dithiolane-2-thione 1.808 4 5
    1.808 4 6
    1.876 5 8
    1.876 6 10
    1.666 3 4
C3H4O2S 2H-Thiete-1,1-dioxide 1.906 1 4
    1.986 1 8
C4H5NS 4-Methylthiazole 1.813 3 8
    1.777 8 11
C5H6S Thiophene, 2-methyl- 1.799 5 8
    1.783 7 8
C5H6S Thiophene, 3-methyl- 1.781 4 7
    1.782 6 7
C4H6OS Dihydro-3-(2H)-thiophenone 1.891 5 9
    1.865 8 9
C4H6OS Dihydro-2-(3H)-thiophenone 1.877 7 12
    1.860 10 12
C4H6OS Vinyl sulfoxide 1.882 1 3
    1.882 1 4
CH6N4S Carbonothioic dihydrazide 1.709 1 2
C3H6S3 Carbonotrithioic acid, dimethyl ester 1.677 1 2
    1.799 1 3
    1.799 1 4
    1.850 3 5
    1.850 4 6
C4H6OS 4,5-dihydrothiophene-3-ol 1.814 1 2
    1.897 1 5
C4H6OS 2,5-dihydrothiophene-3-ol 1.875 1 2
    1.897 1 5
C4H6OS 4,5-dihydrothiophene-2-ol 1.819 1 2
    1.890 1 5
C4H6OS 2,3-dihydrothiophene-2-ol 1.921 1 2
    1.812 1 5
C3H8O2S (Methylsulfonyl)ethane 1.894 5 12
    1.865 8 12
C4H8OS s-Ethyl thioacetate 1.847 2 3
    1.878 3 10
C4H10S2 1,4-Butanedithiol 1.880 1 3
    1.880 2 4
C5H10S 2H-Thiopyran, tetrahydro- 1.874 1 5
    1.874 1 6
C5H10S Cyclopentanethiol 1.876 14 16
C5H10S Thiophene, tetrahydro-2-methyl- 1.889 5 6
    1.906 5 9
C5H10S Thiophene, tetrahydro-3-methyl- 1.892 1 6
    1.891 1 11
C5H10S 3-Ethylthio-1-propene 1.869 8 9
    1.871 9 12
C5H12S 1-Butanethiol, 3-methyl- 1.881 3 5
C5H12S Butane, 1-(methylthio)- 1.857 3 4
    1.869 4 5
C5H12S 1-Propanethiol, 2,2-dimethyl- 1.879 4 6
C5H12S 1-Butanethiol, 2-methyl- 1.886 5 7
C5H12S 2-Butanethiol, 3-methyl- 1.902 9 11
C5H12S Ethyl propyl sulfide 1.872 5 8
    1.869 8 9
C5H12S Propane, 2-(ethylthio)- 1.872 2 5
    1.892 5 6
C5H12S Propane, 2-methyl-2-(methylthio)- 1.907 1 2
    1.855 1 4
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1.983 1 2