CID 708403

5-cyclohexylamino-[1,3,4]thiadiazole-2-thiol

Structural Information

Molecular Formula
C8H13N3S2
SMILES
C1CCC(CC1)NC2=NNC(=S)S2
InChI
InChI=1S/C8H13N3S2/c12-8-11-10-7(13-8)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKey
JOPULZODGGQCOM-UHFFFAOYSA-N
Compound name
5-(cyclohexylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

215.05508 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06236 141.8
[M+Na]+ 238.04430 151.1
[M+NH4]+ 233.08890 150.6
[M+K]+ 254.01824 143.1
[M-H]- 214.04780 144.7
[M+Na-2H]- 236.02975 146.6
[M]+ 215.05453 144.6
[M]- 215.05563 144.6
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

patents stripe