CID 116531

2-amino-5-(p-aminophenylmercapto)-1-3,4-thiadiazole

Structural Information

Molecular Formula
C8H8N4S2
SMILES
C1=CC(=CC=C1N)SC2=NN=C(S2)N
InChI
InChI=1S/C8H8N4S2/c9-5-1-3-6(4-2-5)13-8-12-11-7(10)14-8/h1-4H,9H2,(H2,10,11)
InChIKey
IBWMMESZFNYSHN-UHFFFAOYSA-N
Compound name
5-(4-aminophenyl)sulfanyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.01904 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02632 141.2
[M+Na]+ 247.00826 151.9
[M-H]- 223.01176 145.3
[M+NH4]+ 242.05286 158.8
[M+K]+ 262.98220 145.7
[M+H-H2O]+ 207.01630 134.3
[M+HCOO]- 269.01724 155.9
[M+CH3COO]- 283.03289 153.7
[M+Na-2H]- 244.99371 142.5
[M]+ 224.01849 140.8
[M]- 224.01959 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.