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

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]+	162.99944	131.1
[M+Na]+	184.98138	141.6
[M+NH4]+	180.02598	139.4
[M+K]+	200.95532	134.3
[M-H]-	160.98488	131.3
[M+Na-2H]-	182.96683	134.3
[M]+	161.99161	133.4
[M]-	161.99271	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe