CID 2115259

5-[(propan-2-yl)amino]-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula
C5H9N3S2
SMILES
CC(C)NC1=NNC(=S)S1
InChI
InChI=1S/C5H9N3S2/c1-3(2)6-4-7-8-5(9)10-4/h3H,1-2H3,(H,6,7)(H,8,9)
InChIKey
MYJGHPKZGZWYOE-UHFFFAOYSA-N
Compound name
5-(propan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.02379 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03107 132.1
[M+Na]+ 198.01301 141.6
[M-H]- 174.01651 132.3
[M+NH4]+ 193.05761 151.5
[M+K]+ 213.98695 137.2
[M+H-H2O]+ 158.02105 126.1
[M+HCOO]- 220.02199 143.6
[M+CH3COO]- 234.03764 176.9
[M+Na-2H]- 195.99846 132.1
[M]+ 175.02324 131.9
[M]- 175.02434 131.9
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

patents stripe