CID 66776

4-thiazoline-2-thiol

Structural Information

Molecular Formula
C3H5NS2
SMILES
C1NC(=CS1)S
InChI
InChI=1S/C3H5NS2/c5-3-1-6-2-4-3/h1,4-5H,2H2
InChIKey
ZYHDFWKHJXMUEH-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,3-thiazole-4-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

118.98634 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.99362 119.4
[M+Na]+ 141.97556 129.5
[M+NH4]+ 137.02016 129.5
[M+K]+ 157.94950 121.9
[M-H]- 117.97906 121.0
[M+Na-2H]- 139.96101 123.4
[M]+ 118.98579 122.1
[M]- 118.98689 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.