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: 28
Patents: 147.9765 Da
Monoisotopic Mass: 1.3
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]+	148.98378	127.0
[M+Na]+	170.96572	137.7
[M+NH4]+	166.01032	135.4
[M+K]+	186.93966	130.6
[M-H]-	146.96922	127.2
[M+Na-2H]-	168.95117	130.4
[M]+	147.97595	129.3
[M]-	147.97705	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe