CID 18935653

5-(thiophen-3-yl)-1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C6H4N2OS2
SMILES
C1=CSC=C1C2=NNC(=S)O2
InChI
InChI=1S/C6H4N2OS2/c10-6-8-7-5(9-6)4-1-2-11-3-4/h1-3H,(H,8,10)
InChIKey
KKLTWWUNYPSOTA-UHFFFAOYSA-N
Compound name
5-thiophen-3-yl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

183.9765 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.98378 131.6
[M+Na]+ 206.96572 145.5
[M-H]- 182.96922 137.3
[M+NH4]+ 202.01032 152.1
[M+K]+ 222.93966 142.0
[M+H-H2O]+ 166.97376 127.0
[M+HCOO]- 228.97470 147.2
[M+CH3COO]- 242.99035 146.6
[M+Na-2H]- 204.95117 132.9
[M]+ 183.97595 135.4
[M]- 183.97705 135.4
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