(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium

C20H18ClOS+ — CID 143927079

IUPAC(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccc(C)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClOS/c1-15-3-9-18(10-4-15)23(19-11-5-16(21)6-12-19)20-13-7-17(22-2)8-14-20/h3-14H,1-2H3/q+1
InChIKeyORYHYBNLUKBMGP-UHFFFAOYSA-N
MW341.88 g/mol
LogP5.75
Rot. Bonds4

About (4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium

(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium (PubChem CID 143927079) has the molecular formula C20H18ClOS+ and a molecular weight of 341.88 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
PubChem CID143927079
Molecular FormulaC20H18ClOS+
Molecular Weight341.88 g/mol
Exact Mass341.08
IUPAC Name(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccc(C)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClOS/c1-15-3-9-18(10-4-15)23(19-11-5-16(21)6-12-19)20-13-7-17(22-2)8-14-20/h3-14H,1-2H3/q+1
InChIKeyORYHYBNLUKBMGP-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.88
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-(113C)methoxy-4-methylbenzene
CID 166176950
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
(4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium
CID 58963853
bis(4-methylphenyl)-phenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;tetrakis(trifluoromethanesulfonate);tris(4-methylphenyl)sulfanium
CID 159993942
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 23393598
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium?
The IUPAC name of (4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium (CID 143927079) is (4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium.
What is the SMILES notation for (4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium?
The canonical SMILES for (4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium is COc1ccc([S+](c2ccc(C)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium?
The InChIKey is ORYHYBNLUKBMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClOS/c1-15-3-9-18(10-4-15)23(19-11-5-16(21)6-12-19)20-13-7-17(22-2)8-14-20/h3-14H,1-2H3/q+1.
What are the key properties of (4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium?
(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium has a molecular weight of 341.88 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium is sourced from PubChem (CID 143927079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).