CID 3003786

4,5-bis(benzylthio)-3-pyridazinethiol

Structural Information

Molecular Formula
C18H16N2S3
SMILES
C1=CC=C(C=C1)CSC2=C(C(=S)NN=C2)SCC3=CC=CC=C3
InChI
InChI=1S/C18H16N2S3/c21-18-17(23-13-15-9-5-2-6-10-15)16(11-19-20-18)22-12-14-7-3-1-4-8-14/h1-11H,12-13H2,(H,20,21)
InChIKey
AXTRLGYCCYUMOQ-UHFFFAOYSA-N
Compound name
4,5-bis(benzylsulfanyl)-1H-pyridazine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.04758 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.05486 172.1
[M+Na]+ 379.03680 181.6
[M-H]- 355.04030 176.6
[M+NH4]+ 374.08140 182.5
[M+K]+ 395.01074 169.8
[M+H-H2O]+ 339.04484 164.4
[M+HCOO]- 401.04578 177.2
[M+CH3COO]- 415.06143 180.9
[M+Na-2H]- 377.02225 173.5
[M]+ 356.04703 171.6
[M]- 356.04813 171.6
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

No patent data available for this compound.