CID 3034316

1,2,4-thiadiazolidine-3,5-dithione

Structural Information

Molecular Formula
C2H2N2S3
SMILES
C1(=S)NC(=S)SN1
InChI
InChI=1S/C2H2N2S3/c5-1-3-2(6)7-4-1/h(H2,3,4,5,6)
InChIKey
OTNSJAUBOYWVEB-UHFFFAOYSA-N
Compound name
1,2,4-thiadiazolidine-3,5-dithione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

848
Patents

149.93802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.94530 121.8
[M+Na]+ 172.92724 133.9
[M-H]- 148.93074 120.6
[M+NH4]+ 167.97184 141.7
[M+K]+ 188.90118 126.5
[M+H-H2O]+ 132.93528 117.5
[M+HCOO]- 194.93622 127.2
[M+CH3COO]- 208.95187 134.2
[M+Na-2H]- 170.91269 121.2
[M]+ 149.93747 118.9
[M]- 149.93857 118.9
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