CID 525461

1,1'-thiobisethanethiol

Structural Information

Molecular Formula

C₄H₁₀S₃

SMILES

CC(S)SC(C)S

InChI

InChI=1S/C4H10S3/c1-3(5)7-4(2)6/h3-6H,1-2H3

InChIKey

PAEMPWLDXSJQRU-UHFFFAOYSA-N

Compound name

1-(1-sulfanylethylsulfanyl)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 153.99446 Da
Monoisotopic Mass: 2.5
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]+	155.00174	128.4
[M+Na]+	176.98368	137.0
[M+NH4]+	172.02828	138.1
[M+K]+	192.95762	127.3
[M-H]-	152.98718	129.3
[M+Na-2H]-	174.96913	129.9
[M]+	153.99391	131.2
[M]-	153.99501	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe