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CCCBDB Experimental bond lengths 3
C omputational C hemistry C omparison and B enchmark D ataB ase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Internal Coordinates by type OR Experimental > Geometry > Internal Coordinates by type
List of experimental bond lengths
for bond type rCS
Bond lengths in Å.
Click on an entry for more experimental geometry data.
bond type
Species
Name
Length
Comment
rC#S
HCS+
Thioformyl cation
1.478
rC#S
CS
carbon monosulfide
1.535
re
rC=S
SCSe
Carbon sulfide selenide
1.553
rs
rC=S
CH2 CS
Thioketene
1.554
rC=S
CS2
Carbon disulfide
1.554
rC=S
OCS
Carbonyl sulfide
1.560
rC=S
HNCS
Isothiocyanic acid
1.567
rC=S
CH3 CHS
Thioacetaldehyde
1.610
rC=S
H2 CS
Thioformaldehyde
1.611
rs values
rC=S
CHSNH2
thioformamide
1.626
rC=S
CH3 CSNH2
Ethanethioamide
1.647
rg
rCS
C5 H6 S
Thiophene, 3-methyl-
1.714
!assumed
rCS
C4 H4 S
Thiophene
1.714
rCS
C2 H2 N2 S
1,3,4-Thiadiazole
1.720
rCS
C2 H6 O2 S
Dimethyl sulfone
1.777
r0
rCS
CH3 S
thiomethoxy
1.791
rCS
CH3 SOCH3
Dimethyl sulfoxide
1.799
rCS
C3 H6 S3
1,3,5-Trithiane
1.801
rCS
CH3 SCH3
Dimethyl sulfide
1.802
rCS
CH3 SCH2 CH3
Ethane, (methylthio)-
1.804
from end C
rCS
CH3 SCH2 CH3
Ethane, (methylthio)-
1.804
to ethyl side
rCS
CH3 SSCH3
Disulfide, dimethyl
1.810
rCS
C5 H10 S
2H-Thiopyran, tetrahydro-
1.811
rCS
C2 H4 S
Thiirane
1.815
rCS
C4 H6 S
Thiophene, 2,5-dihydro-
1.816
rCS
CH3 SH
Methanethiol
1.818
rCS
CH2 SHCH2 SH
1,2-Ethanedithiol
1.819
rCS
CH3 CH2 SH
ethanethiol
1.820
rCS
C3 H7 SH
1-Propanethiol
1.820
rCS
CH3 SSH
Hydrogen methyl disulfide
1.823
rCS
C4 H8 S
Thiophene, tetrahydro-
1.835
rCS
C3 H6 S
Thietane
1.847
rCS
CH3 CHSHCH3
2-Propanethiol
1.849
Average
1.724
±1.755
Min
1.478
Max
1.849