CID 19843098

5-methoxy-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula
C3H4N2OS2
SMILES
COC1=NNC(=S)S1
InChI
InChI=1S/C3H4N2OS2/c1-6-2-4-5-3(7)8-2/h1H3,(H,5,7)
InChIKey
WUUILDQPKPPMCG-UHFFFAOYSA-N
Compound name
5-methoxy-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

147.9765 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.98378 123.1
[M+Na]+ 170.96572 134.7
[M-H]- 146.96922 123.8
[M+NH4]+ 166.01032 144.1
[M+K]+ 186.93966 131.0
[M+H-H2O]+ 130.97376 118.0
[M+HCOO]- 192.97470 135.8
[M+CH3COO]- 206.99035 167.5
[M+Na-2H]- 168.95117 124.3
[M]+ 147.97595 125.0
[M]- 147.97705 125.0
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

patents stripe