CID 6369945

2-mercapto-5-benzylidenethiazol-4-one

Structural Information

Molecular Formula
C10H7NOS2
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)SC(=S)N2
InChI
InChI=1S/C10H7NOS2/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,13)/b8-6+
InChIKey
MWOXWTTZHVUTKL-SOFGYWHQSA-N
Compound name
(4E)-4-benzylidene-2-sulfanylidene-1,3-thiazolidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.9969 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.00418 146.8
[M+Na]+ 243.98612 158.0
[M+NH4]+ 239.03072 155.6
[M+K]+ 259.96006 149.1
[M-H]- 219.98962 149.5
[M+Na-2H]- 241.97157 151.5
[M]+ 220.99635 149.9
[M]- 220.99745 149.9
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.