CID 3000729

2-mercapto-4-phenylthiazole

Structural Information

Molecular Formula
C9H7NS2
SMILES
C1=CC=C(C=C1)C2=CSC(=S)N2
InChI
InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey
CYCKHTAVNBPQDB-UHFFFAOYSA-N
Compound name
4-phenyl-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

822
Patents

193.002 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe