Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CS- |
carbon monosulfide anion |
1.626 |
1 |
2 |
CS |
carbon monosulfide |
1.543 |
1 |
2 |
CS+ |
carbon monosulfide cation |
1.460 |
1 |
2 |
HCS- |
Thioformyl anion |
1.675 |
1 |
3 |
HCS+ |
Thioformyl cation |
1.495 |
1 |
3 |
H2CS- |
thioformaldehyde anion |
1.706 |
1 |
2 |
H2CS |
Thioformaldehyde |
1.617 |
1 |
2 |
H2CS+ |
thioformaldehyde cation |
1.581 |
1 |
2 |
CH3S |
thiomethoxy |
1.799 |
1 |
2 |
H2CSH+ |
Thioformaldehyde, protonated |
1.619 |
1 |
2 |
CH3SH |
Methanethiol |
1.815 |
1 |
2 |
CH3SH+ |
Methanethiol cation |
1.788 |
1 |
2 |
CH3SH2+ |
protonated methylsulfide |
1.821 |
1 |
2 |
CS2- |
Carbon disulfide anion |
1.637 |
1 |
2 |
|
|
1.637 |
1 |
3 |
CS2 |
Carbon disulfide |
1.563 |
1 |
2 |
|
|
1.563 |
1 |
3 |
CS2+ |
Carbon disulfide cation |
1.546 |
1 |
2 |
|
|
1.546 |
1 |
3 |
OCS |
Carbonyl sulfide |
1.564 |
1 |
3 |
OCS+ |
Carbonyl sulfide cation |
1.683 |
1 |
3 |
SCN- |
thiocyanide anion |
1.662 |
1 |
2 |
SCN |
thiocyanato radical |
1.675 |
1 |
2 |
SCSe |
Carbon sulfide selenide |
1.561 |
1 |
2 |
HSCN |
thiocyanic acid |
1.702 |
1 |
2 |
HNCS |
Isothiocyanic acid |
1.571 |
2 |
3 |
CH2CS |
Thioketene |
1.560 |
2 |
3 |
CHSNH2 |
thioformamide |
1.634 |
1 |
2 |
NHCHSH |
Methanimidothioic acid |
1.752 |
2 |
3 |
C2H4S |
Thiirane |
1.815 |
1 |
2 |
|
|
1.815 |
1 |
3 |
CH2CHSH |
Ethenethiol |
1.759 |
2 |
3 |
CH3SSH |
Hydrogen methyl disulfide |
1.810 |
1 |
2 |
HSCH2SH |
Methanedithiol |
1.814 |
1 |
2 |
|
|
1.814 |
1 |
3 |
CH3CHS |
Thioacetaldehyde |
1.621 |
1 |
3 |
CH3CH2SH |
ethanethiol |
1.820 |
2 |
3 |
CH3SCH3 |
Dimethyl sulfide |
1.805 |
1 |
2 |
|
|
1.805 |
1 |
3 |
CH3SCH3+ |
dimethyl sulfide cation |
1.786 |
1 |
2 |
|
|
1.786 |
1 |
3 |
CS3-- |
Carbonotrithioate |
1.738 |
1 |
2 |
|
|
1.738 |
1 |
3 |
|
|
1.738 |
1 |
4 |
Cl2CS |
Thiophosgene |
1.609 |
1 |
2 |
NH2CSNH2 |
Thiourea |
1.651 |
1 |
2 |
CH3CSNH2 |
Ethanethioamide |
1.644 |
1 |
2 |
CH3SOCH3 |
Dimethyl sulfoxide |
1.808 |
1 |
3 |
|
|
1.808 |
1 |
4 |
C3H6S |
Thietane |
1.841 |
1 |
2 |
|
|
1.841 |
1 |
3 |
CH2SHCH2SH |
1,2-Ethanedithiol |
1.828 |
2 |
3 |
|
|
1.828 |
1 |
4 |
CH3SSCH3 |
Disulfide, dimethyl |
1.812 |
1 |
3 |
|
|
1.812 |
2 |
4 |
C3H6S |
Thiirane, methyl- |
1.823 |
2 |
4 |
|
|
1.820 |
3 |
4 |
CH3CSCH3 |
Thioacetone |
1.628 |
1 |
2 |
CH3CHSHCH3 |
2-Propanethiol |
1.828 |
1 |
2 |
C3H7SH |
1-Propanethiol |
1.752 |
10 |
12 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
1.813 |
5 |
8 |
|
|
1.807 |
8 |
9 |
C3H3NS |
Thiazole |
1.725 |
1 |
2 |
|
|
1.713 |
1 |
3 |
C4H4S |
Thiophene |
1.716 |
1 |
2 |
|
|
1.716 |
1 |
3 |
CH5N3S |
Hydrazinecarbothioamide |
1.675 |
3 |
4 |
CH3SO2NH2 |
methanesulfonamide |
1.778 |
1 |
2 |
C2H6O2S |
Dimethyl sulfone |
1.785 |
1 |
4 |
|
|
1.785 |
1 |
5 |
CH2CHSCHCH2 |
Divinyl sulfide |
1.760 |
1 |
2 |
|
|
1.758 |
1 |
3 |
C4H6S |
Thiophene, 2,3-dihydro- |
1.765 |
7 |
11 |
|
|
1.833 |
1 |
11 |
C4H6S |
Thiophene, 2,5-dihydro- |
1.831 |
1 |
2 |
|
|
1.831 |
1 |
3 |
CH3SSSCH3 |
dimethyl trisulfide |
1.810 |
2 |
4 |
|
|
1.810 |
3 |
5 |
C3H8S2 |
1,3-Propanedithiol |
1.824 |
2 |
6 |
|
|
1.824 |
3 |
7 |
C(CH3)3SH |
2-Propanethiol, 2-methyl- |
1.840 |
1 |
2 |
C4H9SH |
1-Butanethiol |
1.825 |
1 |
2 |
C2H5SC2H5 |
Diethyl sulfide |
1.814 |
1 |
2 |
|
|
1.814 |
1 |
3 |
CH2(SH)CH(CH3)CH3 |
1-Propanethiol, 2-methyl- |
1.828 |
5 |
11 |
CH3CH(SH)CH2CH3 |
2-Butanethiol |
1.828 |
1 |
6 |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
1.808 |
1 |
2 |
|
|
1.823 |
2 |
3 |
C2H4N2S2 |
Ethanedithioamide |
1.654 |
1 |
3 |
|
|
1.654 |
2 |
4 |
C3H4S3 |
1,3-Dithiolane-2-thione |
1.760 |
4 |
5 |
|
|
1.760 |
4 |
6 |
|
|
1.814 |
5 |
8 |
|
|
1.814 |
6 |
10 |
|
|
1.635 |
3 |
4 |
C3H4O2S |
2H-Thiete-1,1-dioxide |
1.781 |
1 |
4 |
|
|
1.834 |
1 |
8 |
C4H5NS |
4-Methylthiazole |
1.733 |
3 |
8 |
|
|
1.724 |
8 |
11 |
C3H6S3 |
1,3,5-Trithiane |
1.810 |
1 |
4 |
|
|
1.810 |
2 |
4 |
|
|
1.810 |
2 |
5 |
|
|
1.810 |
3 |
5 |
|
|
1.810 |
3 |
6 |
|
|
1.810 |
1 |
6 |
C5H6S |
Thiophene, 2-methyl- |
1.737 |
5 |
8 |
|
|
1.727 |
7 |
8 |
C5H6S |
Thiophene, 3-methyl- |
1.726 |
4 |
7 |
|
|
1.724 |
6 |
7 |
C4H6OS |
Dihydro-3-(2H)-thiophenone |
1.828 |
5 |
9 |
|
|
1.814 |
8 |
9 |
C4H6OS |
Dihydro-2-(3H)-thiophenone |
1.799 |
10 |
12 |
|
|
1.821 |
7 |
12 |
C4H6OS |
Vinyl sulfoxide |
1.788 |
1 |
3 |
|
|
1.788 |
1 |
4 |
CH6N4S |
Carbonothioic dihydrazide |
1.651 |
1 |
2 |
C3H6S3 |
Carbonotrithioic acid, dimethyl ester |
1.640 |
1 |
2 |
|
|
1.759 |
1 |
3 |
|
|
1.759 |
1 |
4 |
|
|
1.800 |
3 |
5 |
|
|
1.800 |
4 |
6 |
C4H6OS |
4,5-dihydrothiophene-3-ol |
1.765 |
1 |
2 |
|
|
1.832 |
1 |
5 |
C4H6OS |
2,5-dihydrothiophene-3-ol |
1.823 |
1 |
2 |
|
|
1.837 |
1 |
5 |
C4H6OS |
4,5-dihydrothiophene-2-ol |
1.767 |
1 |
2 |
|
|
1.828 |
1 |
5 |
C4H6OS |
2,3-dihydrothiophene-2-ol |
1.860 |
1 |
2 |
|
|
1.761 |
1 |
5 |
C3H8O2S |
(Methylsulfonyl)ethane |
1.791 |
5 |
12 |
|
|
1.784 |
8 |
12 |
C4H8OS |
s-Ethyl thioacetate |
1.793 |
2 |
3 |
|
|
1.822 |
3 |
10 |
C4H10OS |
Diethyl sulfoxide |
1.818 |
12 |
14 |
|
|
1.814 |
9 |
14 |
C4H10S2 |
1,4-Butanedithiol |
1.825 |
1 |
3 |
|
|
1.825 |
2 |
4 |
C5H10S |
2H-Thiopyran, tetrahydro- |
1.815 |
1 |
5 |
|
|
1.815 |
1 |
6 |
C5H10S |
Cyclopentanethiol |
1.819 |
14 |
16 |
C5H10S |
Thiophene, tetrahydro-2-methyl- |
1.831 |
5 |
6 |
|
|
1.839 |
5 |
9 |
C5H10S |
Thiophene, tetrahydro-3-methyl- |
1.832 |
1 |
6 |
|
|
1.830 |
1 |
11 |
C5H10S |
3-Ethylthio-1-propene |
1.856 |
8 |
9 |
|
|
1.817 |
9 |
12 |
C5H12S |
1-Pentanethiol |
1.825 |
1 |
3 |
C5H12S |
1-Butanethiol, 3-methyl- |
1.827 |
3 |
5 |
C5H12S |
Butane, 1-(methylthio)- |
1.806 |
3 |
4 |
|
|
1.815 |
4 |
5 |
C5H12S |
1-Propanethiol, 2,2-dimethyl- |
1.830 |
4 |
6 |
C5H12S |
1-Butanethiol, 2-methyl- |
1.829 |
5 |
7 |
C5H12S |
2-Butanethiol, 3-methyl- |
1.841 |
9 |
11 |
C5H12S |
Ethyl propyl sulfide |
1.815 |
5 |
8 |
|
|
1.815 |
8 |
9 |
C5H12S |
Propane, 2-(ethylthio)- |
1.816 |
2 |
5 |
|
|
1.824 |
5 |
6 |
C5H12S |
Propane, 2-methyl-2-(methylthio)- |
1.834 |
1 |
2 |
|
|
1.808 |
1 |
4 |
SF5CF3 |
Sulfur, pentafluoro(trifluoromethyl)- |
1.912 |
1 |
2 |