CID 11095174

3,4-bis(methylsulfanyl)thiophene

Structural Information

Molecular Formula

C₆H₈S₃

SMILES

CSC1=CSC=C1SC

InChI

InChI=1S/C6H8S3/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3

InChIKey

LCTMUKRQVFWKTD-UHFFFAOYSA-N

Compound name

3,4-bis(methylsulfanyl)thiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 175.97882 Da
Monoisotopic Mass: 2.6
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]+	176.98610	132.4
[M+Na]+	198.96804	142.9
[M+NH4]+	194.01264	143.1
[M+K]+	214.94198	132.7
[M-H]-	174.97154	135.6
[M+Na-2H]-	196.95349	136.0
[M]+	175.97827	136.3
[M]-	175.97937	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe