CID 4907629

5-(ethylamino)-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula

C₄H₇N₃S₂

SMILES

CCNC1=NNC(=S)S1

InChI

InChI=1S/C4H7N3S2/c1-2-5-3-6-7-4(8)9-3/h2H2,1H3,(H,5,6)(H,7,8)

InChIKey

OWTDUWLWAOCZOO-UHFFFAOYSA-N

Compound name

5-(ethylamino)-3H-1,3,4-thiadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 161.00813 Da
Monoisotopic Mass: 1.1
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]+	162.01541	130.2
[M+Na]+	183.99735	139.8
[M+NH4]+	179.04195	138.5
[M+K]+	199.97129	132.5
[M-H]-	160.00085	131.0
[M+Na-2H]-	181.98280	133.7
[M]+	161.00758	132.4
[M]-	161.00868	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe