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 143.1
[M+Na]+ 245.01775 154.9
[M-H]- 221.02125 148.3
[M+NH4]+ 240.06235 162.3
[M+K]+ 260.99169 149.8
[M+H-H2O]+ 205.02579 136.8
[M+HCOO]- 267.02673 156.8
[M+CH3COO]- 281.04238 156.6
[M+Na-2H]- 243.00320 143.5
[M]+ 222.02798 146.8
[M]- 222.02908 146.8
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