CID 1201418

5685-06-3

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
3
Annotation Hits

1
References

529
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 120.0
[M+Na]+ 153.97556 131.3
[M-H]- 129.97906 122.0
[M+NH4]+ 149.02016 143.1
[M+K]+ 169.94950 127.1
[M+H-H2O]+ 113.98360 115.5
[M+HCOO]- 175.98454 133.3
[M+CH3COO]- 190.00019 134.4
[M+Na-2H]- 151.96101 120.9
[M]+ 130.98579 120.4
[M]- 130.98689 120.4
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