CID 2724626

1-(2-thienyl)ethanethiol

Structural Information

Molecular Formula

C₆H₈S₂

SMILES

CC(C1=CC=CS1)S

InChI

InChI=1S/C6H8S2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3

InChIKey

NCCCTQRHFVSOMP-UHFFFAOYSA-N

Compound name

1-thiophen-2-ylethanethiol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 115
Patents: 144.00674 Da
Monoisotopic Mass: 2.1
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]+	145.01402	127.2
[M+Na]+	166.99596	138.0
[M+NH4]+	162.04056	137.9
[M+K]+	182.96990	129.8
[M-H]-	142.99946	130.0
[M+Na-2H]-	164.98141	132.1
[M]+	144.00619	130.5
[M]-	144.00729	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe