CID 39099693

4-thiazolemethanethiol

Structural Information

Molecular Formula
C4H5NS2
SMILES
C1=C(N=CS1)CS
InChI
InChI=1S/C4H5NS2/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
InChIKey
SNCMPUVRAZFKCG-UHFFFAOYSA-N
Compound name
1,3-thiazol-4-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

130.98634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.99362 122.5
[M+Na]+ 153.97556 133.9
[M+NH4]+ 149.02016 132.9
[M+K]+ 169.94950 125.5
[M-H]- 129.97906 124.8
[M+Na-2H]- 151.96101 127.7
[M]+ 130.98579 125.7
[M]- 130.98689 125.7
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

patents stripe