5-(4-chlorophenyl)-2-methylsulfanylpyrimidine

C11H9ClN2S — CID 1483973

IUPAC5-(4-chlorophenyl)-2-methylsulfanylpyrimidine
SMILESCSc1ncc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H9ClN2S/c1-15-11-13-6-9(7-14-11)8-2-4-10(12)5-3-8/h2-7H,1H3
InChIKeyRTNXVSMDQGCWLY-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.52
Rot. Bonds2

About 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine

5-(4-chlorophenyl)-2-methylsulfanylpyrimidine (PubChem CID 1483973) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methylsulfanylpyrimidine
PubChem CID1483973
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name5-(4-chlorophenyl)-2-methylsulfanylpyrimidine
SMILESCSc1ncc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H9ClN2S/c1-15-11-13-6-9(7-14-11)8-2-4-10(12)5-3-8/h2-7H,1H3
InChIKeyRTNXVSMDQGCWLY-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine (CID 1483973) is 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine is CSc1ncc(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine?
The InChIKey is RTNXVSMDQGCWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c1-15-11-13-6-9(7-14-11)8-2-4-10(12)5-3-8/h2-7H,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine?
5-(4-chlorophenyl)-2-methylsulfanylpyrimidine has a molecular weight of 236.73 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 1483973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).