4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane)

C93H93ClN6O2P4PdS3Sn2 — CID 160942915

IUPAC4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane)
SMILESCS(=O)(=O)c1nccc([Sn](C)(C)C)n1.CSc1nccc(Cl)n1.CSc1nccc([Sn](C)(C)C)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C5H5ClN2S.C5H5N2O2S.C5H5N2S.6CH3.Pd.2Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-5-7-3-2-4(6)8-5;1-10(8,9)5-6-3-2-4-7-5;1-8-5-6-3-2-4-7-5;;;;;;;;;/h4*1-15H;2-3H,1H3;2-3H,1H3;2-3H,1H3;6*1H3;;;
InChIKeySUSZKCHRESCLHY-UHFFFAOYSA-N
MW1926.20 g/mol
LogP17.80
Rot. Bonds17

About 4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane)

4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane) (PubChem CID 160942915) has the molecular formula C93H93ClN6O2P4PdS3Sn2 and a molecular weight of 1926.20 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane)
PubChem CID160942915
Molecular FormulaC93H93ClN6O2P4PdS3Sn2
Molecular Weight1926.20 g/mol
Exact Mass1926.22
IUPAC Name4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane)
SMILESCS(=O)(=O)c1nccc([Sn](C)(C)C)n1.CSc1nccc(Cl)n1.CSc1nccc([Sn](C)(C)C)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C5H5ClN2S.C5H5N2O2S.C5H5N2S.6CH3.Pd.2Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-5-7-3-2-4(6)8-5;1-10(8,9)5-6-3-2-4-7-5;1-8-5-6-3-2-4-7-5;;;;;;;;;/h4*1-15H;2-3H,1H3;2-3H,1H3;2-3H,1H3;6*1H3;;;
InChIKeySUSZKCHRESCLHY-UHFFFAOYSA-N
XLogP17.80
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001926.20
LogP ≤ 517.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine
CID 159327142
4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine
CID 162033873
4-chloro-2-methylsulfanylpyrimidine;2-fluorobenzaldehyde;(2-fluorophenyl)-(2-methylsulfanylpyrimidin-4-yl)methanone
CID 158802288
2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 159993594
4-(2-chlorophenyl)-2-methylsulfanylpyrimidine
CID 57263424
1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole
CID 15549640
2-methylsulfonyl-4-phenoxypyrimidine
CID 15405455
silver;tris(triphenylphosphane);iodide
CID 170458282
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 80545818
4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine
CID 86602591
4-[1-(2,2-difluoroethyl)-3-iodopyrazol-4-yl]-2-methylsulfanylpyrimidine;4-[1-(2,2-difluoroethyl)-3-iodopyrazol-4-yl]-2-methylsulfonylpyrimidine
CID 158393141
N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 86231964

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane)?
The IUPAC name of 4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane) (CID 160942915) is 4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane).
What is the SMILES notation for 4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane)?
The canonical SMILES for 4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane) is CS(=O)(=O)c1nccc([Sn](C)(C)C)n1.CSc1nccc(Cl)n1.CSc1nccc([Sn](C)(C)C)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane)?
The InChIKey is SUSZKCHRESCLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C5H5ClN2S.C5H5N2O2S.C5H5N2S.6CH3.Pd.2Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-5-7-3-2-4(6)8-5;1-10(8,9)5-6-3-2-4-7-5;1-8-5-6-3-2-4-7-5;;;;;;;;;/h4*1-15H;2-3H,1H3;2-3H,1H3;2-3H,1H3;6*1H3;;;.
What are the key properties of 4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane)?
4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane) has a molecular weight of 1926.20 g/mol, XLogP of 17.80, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanylpyrimidine;palladium;trimethyl-(2-methylsulfanylpyrimidin-4-yl)stannane;trimethyl-(2-methylsulfonylpyrimidin-4-yl)stannane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 160942915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).