CID 5271634

2-propylisothiazolo[5,4-b]pyridine-3-thione

Structural Information

Molecular Formula
C9H10N2S2
SMILES
CCCN1C(=S)C2=C(S1)N=CC=C2
InChI
InChI=1S/C9H10N2S2/c1-2-6-11-9(12)7-4-3-5-10-8(7)13-11/h3-5H,2,6H2,1H3
InChIKey
QPOKWJKNGNFWGH-UHFFFAOYSA-N
Compound name
2-propyl-[1,2]thiazolo[5,4-b]pyridine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.02853 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03581 138.8
[M+Na]+ 233.01775 152.2
[M-H]- 209.02125 142.0
[M+NH4]+ 228.06235 159.8
[M+K]+ 248.99169 146.7
[M+H-H2O]+ 193.02579 133.5
[M+HCOO]- 255.02673 152.7
[M+CH3COO]- 269.04238 152.9
[M+Na-2H]- 231.00320 141.4
[M]+ 210.02798 144.4
[M]- 210.02908 144.4
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

No patent data available for this compound.