5-(2-methylphenyl)-1H-pyrimidine-6-thione

C11H10N2S — CID 106514460

IUPAC5-(2-methylphenyl)-1H-pyrimidine-6-thione
SMILESCc1ccccc1-c1cnc[nH]c1=S
InChIInChI=1S/C11H10N2S/c1-8-4-2-3-5-9(8)10-6-12-7-13-11(10)14/h2-7H,1H3,(H,12,13,14)
InChIKeyKSSPLCGGLIPABK-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.11
Rot. Bonds1

About 5-(2-methylphenyl)-1H-pyrimidine-6-thione

5-(2-methylphenyl)-1H-pyrimidine-6-thione (PubChem CID 106514460) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-(2-methylphenyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-(2-methylphenyl)-1H-pyrimidine-6-thione
PubChem CID106514460
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name5-(2-methylphenyl)-1H-pyrimidine-6-thione
SMILESCc1ccccc1-c1cnc[nH]c1=S
InChIInChI=1S/C11H10N2S/c1-8-4-2-3-5-9(8)10-6-12-7-13-11(10)14/h2-7H,1H3,(H,12,13,14)
InChIKeyKSSPLCGGLIPABK-UHFFFAOYSA-N
XLogP3.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione
CID 106520508
5-(3-fluoro-5-methylphenyl)-1H-pyrimidine-6-thione
CID 106519232
5-(2-methylphenyl)pyrimidine
CID 4188102
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
5-methyl-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514473
5-[bis(2-methylphenyl)methyl]-1H-imidazole
CID 13071795
5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione
CID 106518328
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 726995
3-chloro-5-(2-methylphenyl)-1H-pyridazine-6-thione
CID 106514485
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
5-fluoro-6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 106514472

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-1H-pyrimidine-6-thione?
The IUPAC name of 5-(2-methylphenyl)-1H-pyrimidine-6-thione (CID 106514460) is 5-(2-methylphenyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-(2-methylphenyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 5-(2-methylphenyl)-1H-pyrimidine-6-thione is Cc1ccccc1-c1cnc[nH]c1=S.
What is the InChIKey of 5-(2-methylphenyl)-1H-pyrimidine-6-thione?
The InChIKey is KSSPLCGGLIPABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-8-4-2-3-5-9(8)10-6-12-7-13-11(10)14/h2-7H,1H3,(H,12,13,14).
What are the key properties of 5-(2-methylphenyl)-1H-pyrimidine-6-thione?
5-(2-methylphenyl)-1H-pyrimidine-6-thione has a molecular weight of 202.28 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106514460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).