CID 2735329

5-amino-3h-1,2,4-dithiazole-3-thione

Structural Information

Molecular Formula
C2H2N2S3
SMILES
C1(=NC(=S)SS1)N
InChI
InChI=1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)
InChIKey
YWZHEXZIISFIDA-UHFFFAOYSA-N
Compound name
5-amino-1,2,4-dithiazole-3-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1614
Patents

149.93802 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.94530 122.1
[M+Na]+ 172.92724 133.6
[M-H]- 148.93074 124.2
[M+NH4]+ 167.97184 143.8
[M+K]+ 188.90118 127.9
[M+H-H2O]+ 132.93528 117.1
[M+HCOO]- 194.93622 131.4
[M+CH3COO]- 208.95187 135.5
[M+Na-2H]- 170.91269 122.3
[M]+ 149.93747 121.2
[M]- 149.93857 121.2
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