4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine

C10H8Cl4N4O2S2 — CID 162033873

IUPAC4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(Cl)cc(Cl)n1.CSc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C5H4Cl2N2O2S.C5H4Cl2N2S/c1-12(10,11)5-8-3(6)2-4(7)9-5;1-10-5-8-3(6)2-4(7)9-5/h2H,1H3;2H,1H3
InChIKeyYWJSIVDRRNUGGF-UHFFFAOYSA-N
MW422.15 g/mol
LogP3.69
Rot. Bonds2

About 4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine

4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine (PubChem CID 162033873) has the molecular formula C10H8Cl4N4O2S2 and a molecular weight of 422.15 g/mol. Its IUPAC name is 4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine
PubChem CID162033873
Molecular FormulaC10H8Cl4N4O2S2
Molecular Weight422.15 g/mol
Exact Mass419.88
IUPAC Name4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(Cl)cc(Cl)n1.CSc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C5H4Cl2N2O2S.C5H4Cl2N2S/c1-12(10,11)5-8-3(6)2-4(7)9-5;1-10-5-8-3(6)2-4(7)9-5/h2H,1H3;2H,1H3
InChIKeyYWJSIVDRRNUGGF-UHFFFAOYSA-N
XLogP3.69
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.15
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine?
The IUPAC name of 4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine (CID 162033873) is 4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine is CS(=O)(=O)c1nc(Cl)cc(Cl)n1.CSc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine?
The InChIKey is YWJSIVDRRNUGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O2S.C5H4Cl2N2S/c1-12(10,11)5-8-3(6)2-4(7)9-5;1-10-5-8-3(6)2-4(7)9-5/h2H,1H3;2H,1H3.
What are the key properties of 4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine?
4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine has a molecular weight of 422.15 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine is sourced from PubChem (CID 162033873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).