CID 4962084

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

Structural Information

Molecular Formula
C5H7N3S2
SMILES
C1CC1NC2=NNC(=S)S2
InChI
InChI=1S/C5H7N3S2/c9-5-8-7-4(10-5)6-3-1-2-3/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKey
RBPGSAZBLLEDHB-UHFFFAOYSA-N
Compound name
5-(cyclopropylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

173.00813 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01541 126.3
[M+Na]+ 195.99735 137.7
[M-H]- 172.00085 130.2
[M+NH4]+ 191.04195 141.0
[M+K]+ 211.97129 131.7
[M+H-H2O]+ 156.00539 119.9
[M+HCOO]- 218.00633 140.0
[M+CH3COO]- 232.02198 139.0
[M+Na-2H]- 193.98280 128.2
[M]+ 173.00758 127.7
[M]- 173.00868 127.7
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