CID 3005887

5-phenylisothiazole-3-thiol

Structural Information

Molecular Formula
C9H7NS2
SMILES
C1=CC=C(C=C1)C2=CC(=S)NS2
InChI
InChI=1S/C9H7NS2/c11-9-6-8(12-10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey
KSDOMOJJOHDSBQ-UHFFFAOYSA-N
Compound name
5-phenyl-1,2-thiazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

193.002 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.00928 135.7
[M+Na]+ 215.99122 146.8
[M-H]- 191.99472 140.8
[M+NH4]+ 211.03582 156.3
[M+K]+ 231.96516 140.6
[M+H-H2O]+ 175.99926 130.4
[M+HCOO]- 238.00020 149.6
[M+CH3COO]- 252.01585 149.3
[M+Na-2H]- 213.97667 137.0
[M]+ 193.00145 135.8
[M]- 193.00255 135.8
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

No patent data available for this compound.