CID 3040599

2(3h)-thiazolethione, 4-(2-benzothiazolyl)-

Structural Information

Molecular Formula
C10H6N2S3
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CSC(=S)N3
InChI
InChI=1S/C10H6N2S3/c13-10-12-7(5-14-10)9-11-6-3-1-2-4-8(6)15-9/h1-5H,(H,12,13)
InChIKey
IWSYIJLYYSQEBL-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.96931 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97659 147.9
[M+Na]+ 272.95853 163.1
[M-H]- 248.96203 153.3
[M+NH4]+ 268.00313 168.4
[M+K]+ 288.93247 155.5
[M+H-H2O]+ 232.96657 144.4
[M+HCOO]- 294.96751 157.4
[M+CH3COO]- 308.98316 161.3
[M+Na-2H]- 270.94398 148.3
[M]+ 249.96876 151.0
[M]- 249.96986 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.