[2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride

C25H21Cl2PS — CID 175387149

IUPAC[2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1Sc1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C25H21ClPS.ClH/c1-27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)24-14-8-9-15-25(24)28-23-18-16-20(26)17-19-23;/h2-19H,1H3;1H/q+1;/p-1
InChIKeyLGICRTUXUAHMEM-UHFFFAOYSA-M
MW455.39 g/mol
LogP3.42
Rot. Bonds5

About [2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride

[2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride (PubChem CID 175387149) has the molecular formula C25H21Cl2PS and a molecular weight of 455.39 g/mol. Its IUPAC name is [2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride.

Molecular Properties

Compound Name[2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride
PubChem CID175387149
Molecular FormulaC25H21Cl2PS
Molecular Weight455.39 g/mol
Exact Mass454.05
IUPAC Name[2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1Sc1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C25H21ClPS.ClH/c1-27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)24-14-8-9-15-25(24)28-23-18-16-20(26)17-19-23;/h2-19H,1H3;1H/q+1;/p-1
InChIKeyLGICRTUXUAHMEM-UHFFFAOYSA-M
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylbutan-2-ol
CID 171271330
1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene
CID 175940509
1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
CID 139804486
1-chloro-4-[2-[(4-chlorophenyl)sulfanylmethyl]phenyl]sulfanylbenzene
CID 2765524
2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane
CID 132916377
1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
CID 63819430
(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylpentan-2-ol;hydrochloride
CID 171271337
4-chloro-2-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-6-(1-hydroxyethyl)phenol
CID 58192601
1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
CID 160826513
1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene
CID 22947184
4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
CID 14223180
[2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium
CID 175317206

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride?
The IUPAC name of [2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride (CID 175387149) is [2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride.
What is the SMILES notation for [2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride?
The canonical SMILES for [2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1Sc1ccc(Cl)cc1.[Cl-].
What is the InChIKey of [2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride?
The InChIKey is LGICRTUXUAHMEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H21ClPS.ClH/c1-27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)24-14-8-9-15-25(24)28-23-18-16-20(26)17-19-23;/h2-19H,1H3;1H/q+1;/p-1.
What are the key properties of [2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride?
[2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride has a molecular weight of 455.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)sulfanylphenyl]-methyl-diphenylphosphanium chloride is sourced from PubChem (CID 175387149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).