CID 820765

4-(4-methylphenyl)-1,3-thiazole-2-thiol

Structural Information

Molecular Formula
C10H9NS2
SMILES
CC1=CC=C(C=C1)C2=CSC(=S)N2
InChI
InChI=1S/C10H9NS2/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKey
IFHSFJUUGCCKOC-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

207.01764 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02492 141.2
[M+Na]+ 230.00686 154.7
[M+NH4]+ 225.05146 151.3
[M+K]+ 245.98080 145.1
[M-H]- 206.01036 145.4
[M+Na-2H]- 227.99231 148.3
[M]+ 207.01709 145.4
[M]- 207.01819 145.4
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.