CID 68296

3h-1,2-dithiole-3-thione

Structural Information

Molecular Formula
C3H2S3
SMILES
C1=CSSC1=S
InChI
InChI=1S/C3H2S3/c4-3-1-2-5-6-3/h1-2H
InChIKey
LZENMJMJWQSSNJ-UHFFFAOYSA-N
Compound name
dithiole-3-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

153
References

1955
Patents

133.93187 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.93915 120.9
[M+Na]+ 156.92109 131.6
[M+NH4]+ 151.96569 131.7
[M+K]+ 172.89503 121.7
[M-H]- 132.92459 123.9
[M+Na-2H]- 154.90654 125.1
[M]+ 133.93132 124.6
[M]- 133.93242 124.6
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