CID 19908203

4,5-dihydro-1,3-thiazole-5-thione

Structural Information

Molecular Formula
C3H3NS2
SMILES
C1C(=S)SC=N1
InChI
InChI=1S/C3H3NS2/c5-3-1-4-2-6-3/h2H,1H2
InChIKey
HCIWYOYBZDMBNJ-UHFFFAOYSA-N
Compound name
4H-1,3-thiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

116.97069 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.97797 117.3
[M+Na]+ 139.95991 127.6
[M-H]- 115.96341 120.3
[M+NH4]+ 135.00451 141.2
[M+K]+ 155.93385 125.1
[M+H-H2O]+ 99.967950 112.5
[M+HCOO]- 161.96889 131.1
[M+CH3COO]- 175.98454 131.9
[M+Na-2H]- 137.94536 118.8
[M]+ 116.97014 117.5
[M]- 116.97124 117.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe