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

14
Patents

157.99724 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.004516 124.2
[M+Na]+ 180.986458 136.5
[M-H]- 156.989964 128.3
[M+NH4]+ 176.031063 139.9
[M+K]+ 196.960398 131.1
[M+H-H2O]+ 140.994500 118.1
[M+HCOO]- 202.995441 137.0
[M+CH3COO]- 217.011091 137.5
[M+Na-2H]- 178.971906 125.2
[M]+ 157.99669142 126.4
[M]- 157.99778858 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