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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Related Compounds

4-chloro-2-methylsulfanyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 80545818
1-(6-chloro-2-methylsulfonylpyrimidin-4-yl)ethanone
CID 133056763
2,6-dichloro-4-methylsulfonylpyridine
CID 146177504
N-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80545291
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 80546991
6-chloro-2-methylsulfanyl-N-[(4-methylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 80542468
6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
CID 23042428
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80545968
4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
CID 80545990
4-chloro-2-methylsulfanyl-6-propylpyrimidine
CID 75132210
4-chloro-2-methylsulfanyl-6-(3,3,3-trifluoropropoxy)pyrimidine
CID 82955064
tert-butyl 2-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]acetate;tert-butyl 2-(4-sulfanylphenyl)acetate;4,6-dichloro-2-methylsulfonylpyrimidine
CID 158506271

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).