CID 3032494

Biuret, 1-ethyl-2,4-dithio-

Structural Information

Molecular Formula

C₄H₉N₃S₂

SMILES

CCNC(=S)NC(=S)N

InChI

InChI=1S/C4H9N3S2/c1-2-6-4(9)7-3(5)8/h2H2,1H3,(H4,5,6,7,8,9)

InChIKey

LWSAZBLMPGMYOG-UHFFFAOYSA-N

Compound name

1-carbamothioyl-3-ethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 163.02379 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]+	164.03107	133.1
[M+Na]+	186.01301	138.6
[M+NH4]+	181.05761	140.6
[M+K]+	201.98695	131.5
[M-H]-	162.01651	133.6
[M+Na-2H]-	183.99846	134.6
[M]+	163.02324	134.4
[M]-	163.02434	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe