CID 1828668

477333-10-1

Structural Information

Molecular Formula
C17H16N2S3
SMILES
CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=CC=C3
InChI
InChI=1S/C17H16N2S3/c1-13-7-9-15(10-8-13)12-21-17-19-18-16(22-17)20-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey
YBTDDSDBEPNWJD-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.04758 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05486 168.8
[M+Na]+ 367.03680 183.3
[M+NH4]+ 362.08140 178.7
[M+K]+ 383.01074 170.5
[M-H]- 343.04030 175.5
[M+Na-2H]- 365.02225 177.6
[M]+ 344.04703 174.4
[M]- 344.04813 174.4
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

No patent data available for this compound.