CID 500486

Di5-(4-chlorophenyl)isothiazol-3-yl disulfide

Structural Information

Molecular Formula
C18H10Cl2N2S4
SMILES
C1=CC(=CC=C1C2=CC(=NS2)SSC3=NSC(=C3)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H10Cl2N2S4/c19-13-5-1-11(2-6-13)15-9-17(21-23-15)25-26-18-10-16(24-22-18)12-3-7-14(20)8-4-12/h1-10H
InChIKey
QXMDRCNZLVJLSN-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-[[5-(4-chlorophenyl)-1,2-thiazol-3-yl]disulfanyl]-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.9104 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.91768 195.6
[M+Na]+ 474.89962 210.9
[M-H]- 450.90312 206.0
[M+NH4]+ 469.94422 208.9
[M+K]+ 490.87356 199.9
[M+H-H2O]+ 434.90766 192.1
[M+HCOO]- 496.90860 192.8
[M+CH3COO]- 510.92425 205.4
[M+Na-2H]- 472.88507 192.2
[M]+ 451.90985 200.9
[M]- 451.91095 200.9
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.