CID 11029979

2-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula

C₄H₆N₂S₂

SMILES

CC1=NN=C(S1)SC

InChI

InChI=1S/C4H6N2S2/c1-3-5-6-4(7-2)8-3/h1-2H3

InChIKey

NEKCOKJRDOPRSK-UHFFFAOYSA-N

Compound name

2-methyl-5-methylsulfanyl-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 324
Patents: 145.99724 Da
Monoisotopic Mass: 0.9
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]+	147.00452	127.3
[M+Na]+	168.98646	138.8
[M+NH4]+	164.03106	136.8
[M+K]+	184.96040	130.8
[M-H]-	144.98996	128.8
[M+Na-2H]-	166.97191	131.6
[M]+	145.99669	130.2
[M]-	145.99779	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe