CID 4537095

1,5-bis(benzo[d]thiazol-2-ylthio)pentane

Structural Information

Molecular Formula
C19H18N2S4
SMILES
C1=CC=C2C(=C1)N=C(S2)SCCCCCSC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C19H18N2S4/c1(6-12-22-18-20-14-8-2-4-10-16(14)24-18)7-13-23-19-21-15-9-3-5-11-17(15)25-19/h2-5,8-11H,1,6-7,12-13H2
InChIKey
IQXAYKYEQRFGED-UHFFFAOYSA-N
Compound name
2-[5-(1,3-benzothiazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

402.03528 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.042556 184.9
[M+Na]+ 425.024498 199.3
[M-H]- 401.028004 190.3
[M+NH4]+ 420.069103 200.9
[M+K]+ 440.998438 189.4
[M+H-H2O]+ 385.032540 181.5
[M+HCOO]- 447.033481 189.3
[M+CH3COO]- 461.049131 195.1
[M+Na-2H]- 423.009946 186.5
[M]+ 402.03473142 191.8
[M]- 402.03582858 191.8
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