CID 3053020

As-triazine, 3-(methylthio)-5-(2-thienyl)-

Structural Information

Molecular Formula
C8H7N3S2
SMILES
CSC1=NC(=CN=N1)C2=CC=CS2
InChI
InChI=1S/C8H7N3S2/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3
InChIKey
RCEPWGCIEWKWEI-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.00813 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.015406 138.2
[M+Na]+ 231.997348 150.2
[M-H]- 208.000854 142.1
[M+NH4]+ 227.041953 156.3
[M+K]+ 247.971288 145.5
[M+H-H2O]+ 192.005390 131.4
[M+HCOO]- 254.006331 151.4
[M+CH3COO]- 268.021981 151.6
[M+Na-2H]- 229.982796 140.1
[M]+ 209.00758142 141.3
[M]- 209.00867858 141.3
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