CID 11084170

5-amino-1,2,3-thiadiazole-4-carbothioamide

Structural Information

Molecular Formula
C3H4N4S2
SMILES
C1(=C(SN=N1)N)C(=S)N
InChI
InChI=1S/C3H4N4S2/c4-2(8)1-3(5)9-7-6-1/h5H2,(H2,4,8)
InChIKey
XBSUFSWYJXYZSW-UHFFFAOYSA-N
Compound name
5-aminothiadiazole-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.98773 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99501 126.6
[M+Na]+ 182.97695 136.5
[M-H]- 158.98045 127.3
[M+NH4]+ 178.02155 146.3
[M+K]+ 198.95089 132.3
[M+H-H2O]+ 142.98499 120.2
[M+HCOO]- 204.98593 139.9
[M+CH3COO]- 219.00158 177.1
[M+Na-2H]- 180.96240 126.7
[M]+ 159.98718 124.7
[M]- 159.98828 124.7
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

No patent data available for this compound.