CID 1201366

37147-15-2

Structural Information

Molecular Formula

C₄H₆N₂S₃

SMILES

CCSC1=NNC(=S)S1

InChI

InChI=1S/C4H6N2S3/c1-2-8-4-6-5-3(7)9-4/h2H2,1H3,(H,5,7)

InChIKey

JLJYQXMUUKOBBO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 119
Patents: 177.96931 Da
Monoisotopic Mass: 2.2
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]+	178.97659	129.0
[M+Na]+	200.95853	140.4
[M-H]-	176.96203	129.0
[M+NH4]+	196.00313	148.6
[M+K]+	216.93247	134.2
[M+H-H2O]+	160.96657	124.1
[M+HCOO]-	222.96751	135.2
[M+CH3COO]-	236.98316	141.4
[M+Na-2H]-	198.94398	128.1
[M]+	177.96876	129.3
[M]-	177.96986	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe