CID 3555790

2-(methylthio)-5-(p-tolyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C10H10N2S2
SMILES
CC1=CC=C(C=C1)C2=NN=C(S2)SC
InChI
InChI=1S/C10H10N2S2/c1-7-3-5-8(6-4-7)9-11-12-10(13-2)14-9/h3-6H,1-2H3
InChIKey
NCQCGMKVBVCOJR-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.02853 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03581 145.1
[M+Na]+ 245.01775 159.0
[M+NH4]+ 240.06235 155.0
[M+K]+ 260.99169 149.3
[M-H]- 221.02125 149.3
[M+Na-2H]- 243.00320 152.4
[M]+ 222.02798 149.4
[M]- 222.02908 149.4
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