2,4,6-trichloro-5-ethylsulfanylpyrimidine

C6H5Cl3N2S — CID 13423704

IUPAC2,4,6-trichloro-5-ethylsulfanylpyrimidine
SMILESCCSc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C6H5Cl3N2S/c1-2-12-3-4(7)10-6(9)11-5(3)8/h2H2,1H3
InChIKeyKOCAZZKMEQPVSB-UHFFFAOYSA-N
MW243.55 g/mol
LogP3.55
Rot. Bonds2

About 2,4,6-trichloro-5-ethylsulfanylpyrimidine

2,4,6-trichloro-5-ethylsulfanylpyrimidine (PubChem CID 13423704) has the molecular formula C6H5Cl3N2S and a molecular weight of 243.55 g/mol. Its IUPAC name is 2,4,6-trichloro-5-ethylsulfanylpyrimidine.

Molecular Properties

Compound Name2,4,6-trichloro-5-ethylsulfanylpyrimidine
PubChem CID13423704
Molecular FormulaC6H5Cl3N2S
Molecular Weight243.55 g/mol
Exact Mass241.92
IUPAC Name2,4,6-trichloro-5-ethylsulfanylpyrimidine
SMILESCCSc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C6H5Cl3N2S/c1-2-12-3-4(7)10-6(9)11-5(3)8/h2H2,1H3
InChIKeyKOCAZZKMEQPVSB-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.55
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-5-ethylsulfanylpyrimidine?
The IUPAC name of 2,4,6-trichloro-5-ethylsulfanylpyrimidine (CID 13423704) is 2,4,6-trichloro-5-ethylsulfanylpyrimidine.
What is the SMILES notation for 2,4,6-trichloro-5-ethylsulfanylpyrimidine?
The canonical SMILES for 2,4,6-trichloro-5-ethylsulfanylpyrimidine is CCSc1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of 2,4,6-trichloro-5-ethylsulfanylpyrimidine?
The InChIKey is KOCAZZKMEQPVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3N2S/c1-2-12-3-4(7)10-6(9)11-5(3)8/h2H2,1H3.
What are the key properties of 2,4,6-trichloro-5-ethylsulfanylpyrimidine?
2,4,6-trichloro-5-ethylsulfanylpyrimidine has a molecular weight of 243.55 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-5-ethylsulfanylpyrimidine is sourced from PubChem (CID 13423704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).