CID 721926

68744-66-1

Structural Information

Molecular Formula

C₇H₇N₃S₂

SMILES

CN1C(=NNC1=S)C2=CC=CS2

InChI

InChI=1S/C7H7N3S2/c1-10-6(8-9-7(10)11)5-3-2-4-12-5/h2-4H,1H3,(H,9,11)

InChIKey

GTZYOWSGQWQEEJ-UHFFFAOYSA-N

Compound name

4-methyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 85
Patents: 197.00813 Da
Monoisotopic Mass: 1.6
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]+	198.01541	139.5
[M+Na]+	219.99735	152.1
[M+NH4]+	215.04195	148.0
[M+K]+	235.97129	145.5
[M-H]-	196.00085	141.5
[M+Na-2H]-	217.98280	145.0
[M]+	197.00758	142.7
[M]-	197.00868	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe