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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.98378	133.8
[M+Na]+	206.96572	146.4
[M+NH4]+	202.01032	142.8
[M+K]+	222.93966	140.5
[M-H]-	182.96922	137.4
[M+Na-2H]-	204.95117	139.4
[M]+	183.97595	137.5
[M]-	183.97705	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe