CID 3034166

5788-46-5

Structural Information

Molecular Formula
C4H5N3S
SMILES
C1=CC(=S)NN=C1N
InChI
InChI=1S/C4H5N3S/c5-3-1-2-4(8)7-6-3/h1-2H,(H2,5,6)(H,7,8)
InChIKey
TYYPBSNYNAWEOC-UHFFFAOYSA-N
Compound name
3-amino-1H-pyridazine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

127.02042 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02770 121.0
[M+Na]+ 150.00964 133.2
[M+NH4]+ 145.05424 129.4
[M+K]+ 165.98358 125.8
[M-H]- 126.01314 122.4
[M+Na-2H]- 147.99509 127.4
[M]+ 127.01987 123.4
[M]- 127.02097 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe