CID 3038291

25366-56-7

Structural Information

Molecular Formula

C₄H₇N₃S₂

SMILES

CC(C1=NC(=S)NN1)S

InChI

InChI=1S/C4H7N3S2/c1-2(8)3-5-4(9)7-6-3/h2,8H,1H3,(H2,5,6,7,9)

InChIKey

KURVESZWJPJSFK-UHFFFAOYSA-N

Compound name

5-(1-sulfanylethyl)-1,2-dihydro-1,2,4-triazole-3-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.00813 Da
Monoisotopic Mass: 0.5
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]+	162.01541	131.7
[M+Na]+	183.99735	141.5
[M+NH4]+	179.04195	139.2
[M+K]+	199.97129	135.1
[M-H]-	160.00085	130.8
[M+Na-2H]-	181.98280	134.0
[M]+	161.00758	133.4
[M]-	161.00868	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.