CID 1490196

4-(4-methylphenyl)-2-pyrimidinethiol

Structural Information

Molecular Formula
C11H10N2S
SMILES
CC1=CC=C(C=C1)C2=CC=NC(=S)N2
InChI
InChI=1S/C11H10N2S/c1-8-2-4-9(5-3-8)10-6-7-12-11(14)13-10/h2-7H,1H3,(H,12,13,14)
InChIKey
ZRXJKQAUCSXMTF-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

202.05647 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06375 140.6
[M+Na]+ 225.04569 151.0
[M-H]- 201.04919 144.1
[M+NH4]+ 220.09029 157.3
[M+K]+ 241.01963 144.8
[M+H-H2O]+ 185.05373 133.3
[M+HCOO]- 247.05467 157.0
[M+CH3COO]- 261.07032 153.3
[M+Na-2H]- 223.03114 145.2
[M]+ 202.05592 140.1
[M]- 202.05702 140.1
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.