CID 3037328

19958-78-2

Structural Information

Molecular Formula

C₅H₇N₃S₂

SMILES

CNC(=S)NC1=NC=CS1

InChI

InChI=1S/C5H7N3S2/c1-6-4(9)8-5-7-2-3-10-5/h2-3H,1H3,(H2,6,7,8,9)

InChIKey

ZAWPTHKVMMXVTH-UHFFFAOYSA-N

Compound name

1-methyl-3-(1,3-thiazol-2-yl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.00813 Da
Monoisotopic Mass: 1.2
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]+	174.01541	133.3
[M+Na]+	195.99735	141.5
[M+NH4]+	191.04195	141.9
[M+K]+	211.97129	134.5
[M-H]-	172.00085	135.3
[M+Na-2H]-	193.98280	137.5
[M]+	173.00758	135.6
[M]-	173.00868	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe