National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 21August 2020
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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I.B.1.d.2.

Bonds types in CCCBDB

All species with H-S bond.

Species Name List all bonds Experimental data
HS Mercapto radical List all bonds Experimental data
HS- mercapto anion List all bonds Experimental data
HS+ sulfur monohydride cation List all bonds Experimental data
H2S Hydrogen sulfide List all bonds Experimental data
H2S- Hydrogen sulfide anion List all bonds Experimental data
H2S+ Hydrogen sulfide cation List all bonds Experimental data
H3S+ Sulfonium cation List all bonds Experimental data
HSO+ Sulfur Monoxide, S-protonated List all bonds Experimental data
HS2 Thiosulfeno radical List all bonds Experimental data
HOSH hydrogen thioperoxide List all bonds Experimental data
H2S2 Disulfane List all bonds Experimental data
H2S2+ hydrogen disulfide cation List all bonds Experimental data
H2CSH+ Thioformaldehyde, protonated List all bonds Experimental data
NH2SH Thiohydroxylamine List all bonds Experimental data
CH3SH Methanethiol List all bonds Experimental data
CH3SH+ Methanethiol cation List all bonds Experimental data
CH3SH2+ protonated methylsulfide List all bonds Experimental data
HSCN thiocyanic acid List all bonds Experimental data
HSSSH trisulfane List all bonds Experimental data
NHCHSH Methanimidothioic acid List all bonds Experimental data
CH2CHSH Ethenethiol List all bonds Experimental data
CH3SSH Hydrogen methyl disulfide List all bonds Experimental data
HSCH2SH Methanedithiol List all bonds Experimental data
CH3CH2SH ethanethiol List all bonds Experimental data
H2CS3 thiocarbonic acid List all bonds Experimental data
CH2SHCH2SH 1,2-Ethanedithiol List all bonds Experimental data
C3H7SH 1-Propanethiol List all bonds Experimental data
CH3CHSHCH3 2-Propanethiol List all bonds Experimental data
C3H8S2 1,3-Propanedithiol List all bonds Experimental data
C(CH3)3SH 2-Propanethiol, 2-methyl- List all bonds Experimental data
C4H9SH 1-Butanethiol List all bonds Experimental data
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- List all bonds Experimental data
CH3CH(SH)CH2CH3 2-Butanethiol List all bonds Experimental data
C5H10S Cyclopentanethiol List all bonds Experimental data
C4H10S2 1,4-Butanedithiol List all bonds Experimental data
C5H12S 1-Butanethiol, 2-methyl- List all bonds Experimental data
C5H12S 1-Butanethiol, 3-methyl- List all bonds Experimental data
C5H12S 1-Pentanethiol List all bonds Experimental data
C5H12S 1-Propanethiol, 2,2-dimethyl- List all bonds Experimental data
C5H12S 2-Butanethiol, 2-methyl- List all bonds Experimental data
C5H12S 2-Butanethiol, 3-methyl- List all bonds Experimental data
C6H5SH Benzenethiol List all bonds Experimental data