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

1
Patents

207.01764 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.024916 139.6
[M+Na]+ 230.006858 151.1
[M-H]- 206.010364 144.8
[M+NH4]+ 225.051463 159.9
[M+K]+ 245.980798 144.6
[M+H-H2O]+ 190.014900 134.3
[M+HCOO]- 252.015841 153.1
[M+CH3COO]- 266.031491 153.1
[M+Na-2H]- 227.992306 139.8
[M]+ 207.01709142 140.5
[M]- 207.01818858 140.5
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