CID 4907629

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

Structural Information

Molecular Formula
C4H7N3S2
SMILES
CCNC1=NNC(=S)S1
InChI
InChI=1S/C4H7N3S2/c1-2-5-3-6-7-4(8)9-3/h2H2,1H3,(H,5,6)(H,7,8)
InChIKey
OWTDUWLWAOCZOO-UHFFFAOYSA-N
Compound name
5-(ethylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

161.00813 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01541 127.2
[M+Na]+ 183.99735 137.6
[M-H]- 160.00085 127.5
[M+NH4]+ 179.04195 147.3
[M+K]+ 199.97129 132.9
[M+H-H2O]+ 144.00539 121.4
[M+HCOO]- 206.00633 140.2
[M+CH3COO]- 220.02198 173.2
[M+Na-2H]- 181.98280 128.6
[M]+ 161.00758 127.2
[M]- 161.00868 127.2
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