CID 14837632

5-cyclopropyl-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula
C5H6N2S2
SMILES
C1CC1C2=NNC(=S)S2
InChI
InChI=1S/C5H6N2S2/c8-5-7-6-4(9-5)3-1-2-3/h3H,1-2H2,(H,7,8)
InChIKey
QYZVMNRXWUVKNE-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

157.99724 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.00452 133.7
[M+Na]+ 180.98646 146.1
[M+NH4]+ 176.03106 143.3
[M+K]+ 196.96040 139.6
[M-H]- 156.98996 142.2
[M+Na-2H]- 178.97191 140.6
[M]+ 157.99669 139.7
[M]- 157.99779 139.7
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