CID 4962618

5-(propylamino)-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula
C5H9N3S2
SMILES
CCCNC1=NNC(=S)S1
InChI
InChI=1S/C5H9N3S2/c1-2-3-6-4-7-8-5(9)10-4/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKey
NJQJHXZXNVNCMI-UHFFFAOYSA-N
Compound name
5-(propylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

175.02379 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03107 134.3
[M+Na]+ 198.01301 143.7
[M+NH4]+ 193.05761 142.4
[M+K]+ 213.98695 136.2
[M-H]- 174.01651 135.1
[M+Na-2H]- 195.99846 137.6
[M]+ 175.02324 136.5
[M]- 175.02434 136.5
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

patents stripe