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Compare Calculated Bonds for C-S

17 01 10 14 40

PBEPBE/6-31G*

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
1.779 0.092

  Species Name Bond Length (Å)
Lowest value HCS+ Thioformyl cation 1.494
Highest value SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1.934

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CS- carbon monosulfide anion 1.679 1 2
CS carbon monosulfide 1.562 1 2
CS+ carbon monosulfide cation 1.511 1 2
HCS- Thioformyl anion 1.725 1 3
HCS+ Thioformyl cation 1.494 1 3
H2CS- thioformaldehyde anion 1.734 1 2
H2CS Thioformaldehyde 1.626 1 2
H2CS+ thioformaldehyde cation 1.607 1 2
H2CSH+ Thioformaldehyde, protonated 1.638 1 2
CH3SH Methanethiol 1.835 1 2
CH3SH+ Methanethiol cation 1.787 1 2
CH3SH2+ protonated methylsulfide 1.840 1 2
CS2- Carbon disulfide anion 1.662 1 2
    1.662 1 3
CS2 Carbon disulfide 1.571 1 2
    1.571 1 3
CS2+ Carbon disulfide cation 1.572 1 2
    1.572 1 3
OCS Carbonyl sulfide 1.579 1 3
OCS+ Carbonyl sulfide cation 1.637 1 3
SCN- thiocyanide anion 1.673 1 2
SCN thiocyanato radical 1.635 1 2
SCSe Carbon sulfide selenide 1.570 1 2
HSCN thiocyanic acid 1.704 1 2
HNCS Isothiocyanic acid 1.585 2 3
CH2CS Thioketene 1.575 2 3
CHSNH2 thioformamide 1.654 1 2
NHCHSH Methanimidothioic acid 1.774 2 3
C2H4S Thiirane 1.835 1 2
    1.835 1 3
CH2CHSH Ethenethiol 1.770 2 3
CH3SSH Hydrogen methyl disulfide 1.834 1 2
HSCH2SH Methanedithiol 1.835 1 2
    1.835 1 3
CH3CHS Thioacetaldehyde 1.636 1 3
CH3CH2SH ethanethiol 1.845 2 3
CH3SCH3 Dimethyl sulfide 1.825 1 2
    1.825 1 3
CH3SCH3+ dimethyl sulfide cation 1.795 1 2
    1.795 1 3
CS3-- Carbonotrithioate 1.763 1 2
    1.763 1 3
    1.763 1 4
Cl2CS Thiophosgene 1.618 1 2
NH2CSNH2 Thiourea 1.677 1 2
CH3CSNH2 Ethanethioamide 1.669 1 2
CH3SOCH3 Dimethyl sulfoxide 1.848 1 3
    1.848 1 4
C3H6S Thietane 1.863 1 2
    1.863 1 3
CH2SHCH2SH 1,2-Ethanedithiol 1.848 1 4
    1.848 2 3
CH3SSCH3 Disulfide, dimethyl 1.837 1 3
    1.837 2 4
C3H6S Thiirane, methyl- 1.849 2 4
    1.837 3 4
CH3CSCH3 Thioacetone 1.648 1 2
CH3CHSHCH3 2-Propanethiol 1.857 1 2
C3H7SH 1-Propanethiol 1.848 10 12
CH3SCH2CH3 Ethane, (methylthio)- 1.837 5 8
    1.825 8 9
C3H3NS Thiazole 1.756 1 2
    1.734 1 3
C4H4S Thiophene 1.737 1 2
    1.737 1 3
CH5N3S Hydrazinecarbothioamide 1.683 3 4
CH3SO2NH2 methanesulfonamide 1.805 1 2
C2H6O2S Dimethyl sulfone 1.818 1 4
    1.818 1 5
CH2CHSCHCH2 Divinyl sulfide 1.770 1 2
    1.770 1 3
C4H6S Thiophene, 2,3-dihydro- 1.858 1 11
    1.774 7 11
C4H6S Thiophene, 2,5-dihydro- 1.852 1 2
    1.852 1 3
CH3SSSCH3 dimethyl trisulfide 1.833 2 4
    1.833 3 5
C3H8S2 1,3-Propanedithiol 1.847 2 6
    1.847 3 7
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.873 1 2
C4H9SH 1-Butanethiol 1.847 1 2
C2H5SC2H5 Diethyl sulfide 1.838 1 2
    1.838 1 3
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1.852 5 11
CH3CH(SH)CH2CH3 2-Butanethiol 1.859 1 6
CH3C(SCH3)HCH3 Propane, 2-(methylthio)- 1.826 1 2
    1.852 2 3
C2H4N2S2 Ethanedithioamide 1.678 1 3
    1.678 2 4
C3H4S3 1,3-Dithiolane-2-thione 1.776 4 5
    1.776 4 6
    1.837 5 8
    1.837 6 10
    1.648 3 4
C3H4O2S 2H-Thiete-1,1-dioxide 1.811 1 4
    1.880 1 8
C4H5NS 4-Methylthiazole 1.755 3 8
    1.734 8 11
C3H6S3 1,3,5-Trithiane 1.832 1 4
    1.832 1 6
    1.832 2 4
    1.832 2 5
    1.832 3 5
    1.832 3 6
C5H6S Thiophene, 2-methyl- 1.753 5 8
    1.739 7 8
C5H6S Thiophene, 3-methyl- 1.737 4 7
    1.737 6 7
C4H6OS Dihydro-3-(2H)-thiophenone 1.853 5 9
    1.830 8 9
C4H6OS Dihydro-2-(3H)-thiophenone 1.839 7 12
    1.826 10 12
C4H6OS Vinyl sulfoxide 1.818 1 3
    1.818 1 4
CH6N4S Carbonothioic dihydrazide 1.673 1 2
C3H6S3 Carbonotrithioic acid, dimethyl ester 1.656 1 2
    1.776 1 3
    1.776 1 4
    1.818 3 5
    1.818 4 6
C3H8O2S (Methylsulfonyl)ethane 1.833 5 12
    1.820 8 12
C4H8OS s-Ethyl thioacetate 1.816 2 3
    1.846 3 10
C4H10OS Diethyl sulfoxide 1.864 9 14
    1.871 12 14
C4H10S2 1,4-Butanedithiol 1.847 1 3
    1.847 2 4
C5H10S 2H-Thiopyran, tetrahydro- 1.838 1 5
    1.838 1 6
C5H10S Cyclopentanethiol 1.844 14 16
C5H10S Thiophene, tetrahydro-2-methyl- 1.853 5 6
    1.867 5 9
C5H10S Thiophene, tetrahydro-3-methyl- 1.855 1 6
    1.853 1 11
C5H10S 3-Ethylthio-1-propene 1.836 8 9
    1.837 9 12
C5H12S 1-Pentanethiol 1.848 1 3
C5H12S 1-Butanethiol, 3-methyl- 1.849 3 5
C5H12S Butane, 1-(methylthio)- 1.825 3 4
    1.837 4 5
C5H12S 1-Butanethiol, 2-methyl- 1.853 5 7
C5H12S 2-Butanethiol, 3-methyl- 1.867 9 11
C5H12S Ethyl propyl sulfide 1.838 5 8
    1.837 8 9
C5H12S Propane, 2-(ethylthio)- 1.840 2 5
    1.855 5 6
C5H12S Propane, 2-methyl-2-(methylthio)- 1.871 1 2
    1.826 1 4
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1.934 1 2