CID 371577

Thieno[3,4-d][1,3]dithiole-2-thione

Structural Information

Molecular Formula
C5H2S4
SMILES
C1=C2C(=CS1)SC(=S)S2
InChI
InChI=1S/C5H2S4/c6-5-8-3-1-7-2-4(3)9-5/h1-2H
InChIKey
GJEBXSONPVIOSK-UHFFFAOYSA-N
Compound name
thieno[3,4-d][1,3]dithiole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

189.90393 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.91121 136.9
[M+Na]+ 212.89315 151.6
[M-H]- 188.89665 141.7
[M+NH4]+ 207.93775 161.5
[M+K]+ 228.86709 144.8
[M+H-H2O]+ 172.90119 134.6
[M+HCOO]- 234.90213 143.1
[M+CH3COO]- 248.91778 150.7
[M+Na-2H]- 210.87860 137.6
[M]+ 189.90338 139.0
[M]- 189.90448 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe