CID 3032821

Brn 0510800

Structural Information

Molecular Formula

C₄H₄N₂OS₃

SMILES

C1(=C(SNC1=S)S)C(=O)N

InChI

InChI=1S/C4H4N2OS3/c5-2(7)1-3(8)6-10-4(1)9/h9H,(H2,5,7)(H,6,8)

InChIKey

XQCCKHXLNGUXRZ-UHFFFAOYSA-N

Compound name

5-sulfanyl-3-sulfanylidene-1,2-thiazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.94858 Da
Monoisotopic Mass: -0.1
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]+	192.95586	136.5
[M+Na]+	214.93780	144.6
[M+NH4]+	209.98240	144.5
[M+K]+	230.91174	137.1
[M-H]-	190.94130	137.2
[M+Na-2H]-	212.92325	137.8
[M]+	191.94803	138.9
[M]-	191.94913	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.