CID 1241233

6264-40-0

Structural Information

Molecular Formula

C₃H₄N₂S₃

SMILES

CSC1=NNC(=S)S1

InChI

InChI=1S/C3H4N2S3/c1-7-3-5-4-2(6)8-3/h1H3,(H,4,6)

InChIKey

CFWGYKRJMYXYND-UHFFFAOYSA-N

Compound name

5-methylsulfanyl-3H-1,3,4-thiadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1382
Patents: 163.95366 Da
Monoisotopic Mass: 1.9
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]+	164.96094	125.1
[M+Na]+	186.94288	137.0
[M-H]-	162.94638	125.3
[M+NH4]+	181.98748	145.3
[M+K]+	202.91682	131.0
[M+H-H2O]+	146.95092	120.4
[M+HCOO]-	208.95186	131.6
[M+CH3COO]-	222.96751	137.9
[M+Na-2H]-	184.92833	124.5
[M]+	163.95311	125.0
[M]-	163.95421	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe