CID 1268736

27385-97-3

Structural Information

Molecular Formula
C9H9N3S2
SMILES
CC1=CC=CC=C1NC2=NNC(=S)S2
InChI
InChI=1S/C9H9N3S2/c1-6-4-2-3-5-7(6)10-8-11-12-9(13)14-8/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey
KWWBRNIJHGTCDA-UHFFFAOYSA-N
Compound name
5-(2-methylanilino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

223.02379 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03107 142.7
[M+Na]+ 246.01301 153.7
[M-H]- 222.01651 146.4
[M+NH4]+ 241.05761 160.5
[M+K]+ 261.98695 146.8
[M+H-H2O]+ 206.02105 136.3
[M+HCOO]- 268.02199 156.1
[M+CH3COO]- 282.03764 155.2
[M+Na-2H]- 243.99846 144.0
[M]+ 223.02324 142.8
[M]- 223.02434 142.8
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

No patent data available for this compound.