6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione

C10H6Cl2N2S — CID 4773626

IUPAC6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione
SMILESS=c1nccc(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C10H6Cl2N2S/c11-6-1-2-7(8(12)5-6)9-3-4-13-10(15)14-9/h1-5H,(H,13,14,15)
InChIKeyOGOFNKASZYQNQX-UHFFFAOYSA-N
MW257.14 g/mol
LogP4.11
Rot. Bonds1

About 6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione

6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione (PubChem CID 4773626) has the molecular formula C10H6Cl2N2S and a molecular weight of 257.14 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione
PubChem CID4773626
Molecular FormulaC10H6Cl2N2S
Molecular Weight257.14 g/mol
Exact Mass255.96
IUPAC Name6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione
SMILESS=c1nccc(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C10H6Cl2N2S/c11-6-1-2-7(8(12)5-6)9-3-4-13-10(15)14-9/h1-5H,(H,13,14,15)
InChIKeyOGOFNKASZYQNQX-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione (CID 4773626) is 6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione is S=c1nccc(-c2ccc(Cl)cc2Cl)[nH]1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione?
The InChIKey is OGOFNKASZYQNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2S/c11-6-1-2-7(8(12)5-6)9-3-4-13-10(15)14-9/h1-5H,(H,13,14,15).
What are the key properties of 6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione?
6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione has a molecular weight of 257.14 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 4773626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).