CID 3038269

1h-1,2,4-triazole-3-thiol, 5-(p-aminophenyl)-, hydrate

Structural Information

Molecular Formula
C8H8N4S
SMILES
C1=CC(=CC=C1C2=NC(=S)NN2)N
InChI
InChI=1S/C8H8N4S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,9H2,(H2,10,11,12,13)
InChIKey
ZFPXYLWYSNUYNG-UHFFFAOYSA-N
Compound name
5-(4-aminophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

137
Patents

192.04697 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05425 138.4
[M+Na]+ 215.03619 150.4
[M+NH4]+ 210.08079 145.8
[M+K]+ 231.01013 144.7
[M-H]- 191.03969 140.3
[M+Na-2H]- 213.02164 144.9
[M]+ 192.04642 140.8
[M]- 192.04752 140.8
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