CID 14996766

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

Structural Information

Molecular Formula
C4H6N2OS2
SMILES
CCOC1=NNC(=S)S1
InChI
InChI=1S/C4H6N2OS2/c1-2-7-3-5-6-4(8)9-3/h2H2,1H3,(H,6,8)
InChIKey
VTFWKWQMCNWIHD-UHFFFAOYSA-N
Compound name
5-ethoxy-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

161.99216 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.99944 127.3
[M+Na]+ 184.98138 138.4
[M-H]- 160.98488 127.8
[M+NH4]+ 180.02598 147.7
[M+K]+ 200.95532 134.5
[M+H-H2O]+ 144.98942 122.0
[M+HCOO]- 206.99036 139.7
[M+CH3COO]- 221.00601 170.5
[M+Na-2H]- 182.96683 128.1
[M]+ 161.99161 129.5
[M]- 161.99271 129.5
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