CID 1201418

4-methylthiazole-2-thiol

Structural Information

Molecular Formula
C4H5NS2
SMILES
CC1=CSC(=S)N1
InChI
InChI=1S/C4H5NS2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)
InChIKey
NLHAIPFBNQZTMY-UHFFFAOYSA-N
Compound name
4-methyl-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

431
Patents

130.98634 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.99362 123.4
[M+Na]+ 153.97556 134.6
[M+NH4]+ 149.02016 133.1
[M+K]+ 169.94950 126.5
[M-H]- 129.97906 124.9
[M+Na-2H]- 151.96101 127.5
[M]+ 130.98579 126.3
[M]- 130.98689 126.3
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