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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH3CHSHCH3 (2-Propanethiol)

No experimental rotational constants available.
Calculated rotational constants for CH3CHSHCH3 (2-Propanethiol).

Point Group Cs

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCS 1.849 1 2 1987Kuchitsu(II/15)
rSH 1.345 2 4 1987Kuchitsu(II/15)
rCC 1.520 1 5 1987Kuchitsu(II/15) !assumed
rCH 1.091 1 3 1987Kuchitsu(II/15) !assumed
aCCC 113.6 5 1 6 1987Kuchitsu(II/15)
aCCS 111.2 2 1 5 1987Kuchitsu(II/15)
aHSC 96.5 1 2 4 1987Kuchitsu(II/15)
aHCC 109.5 3 1 5 1987Kuchitsu(II/15) !assumed
picture of 2-Propanethiol

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 7
H-S 1
C-C 2
C-S 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH3CHSHCH3 (2-Propanethiol).


References
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squib reference DOI
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.  

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