CID 10016746

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

Structural Information

Molecular Formula
C15H12N2S2
SMILES
CC1=CC=C(C=C1)N2C(=NSC2=S)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2S2/c1-11-7-9-13(10-8-11)17-14(16-19-15(17)18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
NCMNPPQUIOOGGL-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0442 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05148 160.4
[M+Na]+ 307.03342 172.8
[M-H]- 283.03692 168.8
[M+NH4]+ 302.07802 176.9
[M+K]+ 323.00736 165.2
[M+H-H2O]+ 267.04146 153.2
[M+HCOO]- 329.04240 174.3
[M+CH3COO]- 343.05805 173.1
[M+Na-2H]- 305.01887 160.2
[M]+ 284.04365 163.1
[M]- 284.04475 163.1
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

No patent data available for this compound.