CID 1810203

29490-19-5

Structural Information

Molecular Formula
C3H4N2S2
SMILES
CC1=NNC(=S)S1
InChI
InChI=1S/C3H4N2S2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)
InChIKey
FPVUWZFFEGYCGB-UHFFFAOYSA-N
Compound name
5-methyl-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

2949
Patents

131.9816 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.98888 119.4
[M+Na]+ 154.97082 131.2
[M-H]- 130.97432 120.2
[M+NH4]+ 150.01542 141.2
[M+K]+ 170.94476 127.2
[M+H-H2O]+ 114.97886 114.5
[M+HCOO]- 176.97980 131.9
[M+CH3COO]- 190.99545 133.5
[M+Na-2H]- 152.95627 120.5
[M]+ 131.98105 120.0
[M]- 131.98215 120.0
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.