4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine

C11H7Cl3N2OS — CID 113221056

IUPAC4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H7Cl3N2OS/c1-18-11-15-8(13)5-9(16-11)17-7-4-2-3-6(12)10(7)14/h2-5H,1H3
InChIKeyIEXBUMFEMLXBGT-UHFFFAOYSA-N
MW321.62 g/mol
LogP4.95
Rot. Bonds3

About 4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine

4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine (PubChem CID 113221056) has the molecular formula C11H7Cl3N2OS and a molecular weight of 321.62 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine
PubChem CID113221056
Molecular FormulaC11H7Cl3N2OS
Molecular Weight321.62 g/mol
Exact Mass319.93
IUPAC Name4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H7Cl3N2OS/c1-18-11-15-8(13)5-9(16-11)17-7-4-2-3-6(12)10(7)14/h2-5H,1H3
InChIKeyIEXBUMFEMLXBGT-UHFFFAOYSA-N
XLogP4.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.62
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine (CID 113221056) is 4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(Oc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine?
The InChIKey is IEXBUMFEMLXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2OS/c1-18-11-15-8(13)5-9(16-11)17-7-4-2-3-6(12)10(7)14/h2-5H,1H3.
What are the key properties of 4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine?
4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine has a molecular weight of 321.62 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 113221056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).