2-chloro-4-(2-methylphenyl)sulfanylpyrimidine

C11H9ClN2S — CID 62342676

IUPAC2-chloro-4-(2-methylphenyl)sulfanylpyrimidine
SMILESCc1ccccc1Sc1ccnc(Cl)n1
InChIInChI=1S/C11H9ClN2S/c1-8-4-2-3-5-9(8)15-10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKeyNHGDMVQCWBWXDD-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.59
Rot. Bonds2

About 2-chloro-4-(2-methylphenyl)sulfanylpyrimidine

2-chloro-4-(2-methylphenyl)sulfanylpyrimidine (PubChem CID 62342676) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 2-chloro-4-(2-methylphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methylphenyl)sulfanylpyrimidine
PubChem CID62342676
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name2-chloro-4-(2-methylphenyl)sulfanylpyrimidine
SMILESCc1ccccc1Sc1ccnc(Cl)n1
InChIInChI=1S/C11H9ClN2S/c1-8-4-2-3-5-9(8)15-10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKeyNHGDMVQCWBWXDD-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylphenyl)sulfanylpyrimidine?
The IUPAC name of 2-chloro-4-(2-methylphenyl)sulfanylpyrimidine (CID 62342676) is 2-chloro-4-(2-methylphenyl)sulfanylpyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methylphenyl)sulfanylpyrimidine?
The canonical SMILES for 2-chloro-4-(2-methylphenyl)sulfanylpyrimidine is Cc1ccccc1Sc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methylphenyl)sulfanylpyrimidine?
The InChIKey is NHGDMVQCWBWXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c1-8-4-2-3-5-9(8)15-10-6-7-13-11(12)14-10/h2-7H,1H3.
What are the key properties of 2-chloro-4-(2-methylphenyl)sulfanylpyrimidine?
2-chloro-4-(2-methylphenyl)sulfanylpyrimidine has a molecular weight of 236.73 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylphenyl)sulfanylpyrimidine is sourced from PubChem (CID 62342676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).