CID 210705

21532-04-7

Structural Information

Molecular Formula

C₄H₈N₄S₂

SMILES

CSC1=NN=C(N1N)SC

InChI

InChI=1S/C4H8N4S2/c1-9-3-6-7-4(10-2)8(3)5/h5H2,1-2H3

InChIKey

GSABSZTWRUBPBN-UHFFFAOYSA-N

Compound name

3,5-bis(methylsulfanyl)-1,2,4-triazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.01904 Da
Monoisotopic Mass: 0.9
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]+	177.02632	134.7
[M+Na]+	199.00826	144.8
[M+NH4]+	194.05286	142.6
[M+K]+	214.98220	137.9
[M-H]-	175.01176	135.4
[M+Na-2H]-	196.99371	137.7
[M]+	176.01849	137.0
[M]-	176.01959	137.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.