CID 2744365

2-methylthiazole-4-carbothioamide

Structural Information

Molecular Formula

C₅H₆N₂S₂

SMILES

CC1=NC(=CS1)C(=S)N

InChI

InChI=1S/C5H6N2S2/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8)

InChIKey

DIOPPULTIGEDCB-UHFFFAOYSA-N

Compound name

2-methyl-1,3-thiazole-4-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 13
Patents: 157.99724 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]+	159.00452	130.5
[M+Na]+	180.98646	140.1
[M+NH4]+	176.03106	139.6
[M+K]+	196.96040	133.0
[M-H]-	156.98996	132.3
[M+Na-2H]-	178.97191	134.2
[M]+	157.99669	133.1
[M]-	157.99779	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe