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

13
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 124.2
[M+Na]+ 180.98646 136.5
[M-H]- 156.98996 128.3
[M+NH4]+ 176.03106 139.9
[M+K]+ 196.96040 131.1
[M+H-H2O]+ 140.99450 118.1
[M+HCOO]- 202.99544 137.0
[M+CH3COO]- 217.01109 137.5
[M+Na-2H]- 178.97191 125.2
[M]+ 157.99669 126.4
[M]- 157.99779 126.4
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