CID 35576615

3-(5-methylthiophen-2-yl)-2,5-dihydro-1,2,4-thiadiazol-5-imine

Structural Information

Molecular Formula
C7H7N3S2
SMILES
CC1=CC=C(S1)C2=NSC(=N2)N
InChI
InChI=1S/C7H7N3S2/c1-4-2-3-5(11-4)6-9-7(8)12-10-6/h2-3H,1H3,(H2,8,9,10)
InChIKey
BQWKKLSJRZRHII-UHFFFAOYSA-N
Compound name
3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

197.00813 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01541 137.9
[M+Na]+ 219.99735 149.6
[M+NH4]+ 215.04195 147.2
[M+K]+ 235.97129 143.3
[M-H]- 196.00085 141.5
[M+Na-2H]- 217.98280 144.1
[M]+ 197.00758 141.4
[M]- 197.00868 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.