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Compare Calculated Bonds for S-C

17 01 10 14 40

LSDA/6-31+G**

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


Values greater than 2.00 are in the 2.00 bin. Values less than 1.45 are in the 1.45 bin.

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1.45 1.50 1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90 1.95 2.00
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.765 0.081

  Species Name Bond Length (Å)
Lowest value HCS+ Thioformyl cation 1.485
Highest value SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1.911

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CS- carbon monosulfide anion 1.632 1 2
CS carbon monosulfide 1.545 1 2
CS+ carbon monosulfide cation 1.501 1 2
HCS- Thioformyl anion 1.683 1 3
HCS+ Thioformyl cation 1.485 1 3
H2CS- thioformaldehyde anion 1.708 1 2
H2CS Thioformaldehyde 1.613 1 2
H2CS+ thioformaldehyde cation 1.586 1 2
H2CSH+ Thioformaldehyde, protonated 1.622 1 2
CH3SH Methanethiol 1.812 1 2
CH3SH+ Methanethiol cation 1.750 1 2
CH3SH2+ protonated methylsulfide 1.806 1 2
CS2- Carbon disulfide anion 1.635 1 2
    1.635 1 3
OCS Carbonyl sulfide 1.564 1 3
OCS+ Carbonyl sulfide cation 1.616 1 3
SCN- thiocyanide anion 1.650 1 2
SCN thiocyanato radical 1.618 1 2
C2H4S Thiirane 1.812 1 2
    1.812 1 3
CH3CHS Thioacetaldehyde 1.623 1 3
CH3CH2SH ethanethiol 1.817 2 3
CH3SCH3 Dimethyl sulfide 1.797 1 2
    1.797 1 3
Cl2CS Thiophosgene 1.606 1 2
CH2SHCH2SH 1,2-Ethanedithiol 1.820 1 4
    1.820 2 3
CH3SSCH3 Disulfide, dimethyl 1.807 1 3
    1.807 2 4
C3H6S Thiirane, methyl- 1.823 2 4
    1.814 3 4
CH3CSCH3 Thioacetone 1.635 1 2
CH3SCH2CH3 Ethane, (methylthio)- 1.808 5 8
    1.798 8 9
CH3SO2NH2 methanesulfonamide 1.771 1 2
C2H6O2S Dimethyl sulfone 1.781 1 4
    1.781 1 5
CH2CHSCHCH2 Divinyl sulfide 1.744 1 2
    1.744 1 3
C4H6S Thiophene, 2,3-dihydro- 1.829 1 11
    1.751 7 11
C4H6S Thiophene, 2,5-dihydro- 1.827 1 2
    1.827 1 3
CH3SSSCH3 dimethyl trisulfide 1.803 2 4
    1.803 3 5
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.840 1 2
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1.822 5 11
CH3CH(SH)CH2CH3 2-Butanethiol 1.828 1 6
CH3C(SCH3)HCH3 Propane, 2-(methylthio)- 1.798 1 2
    1.820 2 3
C2H4N2S2 Ethanedithioamide 1.660 1 3
    1.660 2 4
C3H4S3 1,3-Dithiolane-2-thione 1.752 4 5
    1.752 4 6
    1.812 5 8
    1.812 6 10
    1.636 3 4
C3H4O2S 2H-Thiete-1,1-dioxide 1.787 1 4
    1.847 1 8
C4H5NS 4-Methylthiazole 1.731 3 8
    1.713 8 11
C3H6S3 1,3,5-Trithiane 1.805 1 4
    1.805 1 6
    1.805 2 4
    1.805 2 5
    1.805 3 5
    1.805 3 6
C5H6S Thiophene, 2-methyl- 1.729 5 8
    1.718 7 8
C5H6S Thiophene, 3-methyl- 1.715 4 7
    1.715 6 7
C4H6OS Dihydro-3-(2H)-thiophenone 1.824 5 9
    1.806 8 9
C4H6OS Dihydro-2-(3H)-thiophenone 1.816 7 12
    1.791 10 12
C4H6OS Vinyl sulfoxide 1.791 1 3
    1.791 1 4
CH6N4S Carbonothioic dihydrazide 1.656 1 2
C3H6S3 Carbonotrithioic acid, dimethyl ester 1.644 1 2
    1.749 1 3
    1.749 1 4
    1.788 3 5
    1.788 4 6
C4H6OS 4,5-dihydrothiophene-3-ol 1.756 1 2
    1.828 1 5
C4H6OS 2,5-dihydrothiophene-3-ol 1.817 1 2
    1.834 1 5
C4H6OS 4,5-dihydrothiophene-2-ol 1.761 1 2
    1.825 1 5
C4H6OS 2,3-dihydrothiophene-2-ol 1.876 1 2
    1.748 1 5
C3H8O2S (Methylsulfonyl)ethane 1.794 5 12
    1.782 8 12
C4H8OS s-Ethyl thioacetate 1.780 2 3
    1.816 3 10
C4H10S2 1,4-Butanedithiol 1.818 1 3
    1.818 2 4
C5H10S 2H-Thiopyran, tetrahydro- 1.810 1 5
    1.810 1 6
C5H10S Cyclopentanethiol 1.814 14 16
C5H10S Thiophene, tetrahydro-2-methyl- 1.828 5 6
    1.839 5 9
C5H10S Thiophene, tetrahydro-3-methyl- 1.830 1 6
    1.828 1 11
C5H10S 3-Ethylthio-1-propene 1.806 8 9
    1.809 9 12
C5H12S 1-Butanethiol, 3-methyl- 1.819 3 5
C5H12S Butane, 1-(methylthio)- 1.798 3 4
    1.806 4 5
C5H12S 1-Propanethiol, 2,2-dimethyl- 1.827 4 6
C5H12S 1-Butanethiol, 2-methyl- 1.823 5 7
C5H12S 2-Butanethiol, 3-methyl- 1.834 9 11
C5H12S Ethyl propyl sulfide 1.808 5 8
    1.807 8 9
C5H12S Propane, 2-(ethylthio)- 1.810 2 5
    1.825 5 6
C5H12S Propane, 2-methyl-2-(methylthio)- 1.837 1 2
    1.797 1 4
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1.911 1 2