[4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium

C20H21OP2S2+ — CID 153369947

IUPAC[4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium
SMILESCSc1cc([P+](P)(c2ccccc2)c2ccccc2)cc(SC)c1O
InChIInChI=1S/C20H20OP2S2/c1-24-18-13-17(14-19(25-2)20(18)21)23(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,22H2,1-2H3/p+1
InChIKeyYFKZCPSTZSPKAW-UHFFFAOYSA-O
MW403.47 g/mol
LogP4.92
Rot. Bonds5

About [4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium

[4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium (PubChem CID 153369947) has the molecular formula C20H21OP2S2+ and a molecular weight of 403.47 g/mol. Its IUPAC name is [4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium.

Molecular Properties

Compound Name[4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium
PubChem CID153369947
Molecular FormulaC20H21OP2S2+
Molecular Weight403.47 g/mol
Exact Mass403.05
IUPAC Name[4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium
SMILESCSc1cc([P+](P)(c2ccccc2)c2ccccc2)cc(SC)c1O
InChIInChI=1S/C20H20OP2S2/c1-24-18-13-17(14-19(25-2)20(18)21)23(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,22H2,1-2H3/p+1
InChIKeyYFKZCPSTZSPKAW-UHFFFAOYSA-O
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

platinum;tetrakis(triphenyl(phosphanyl)phosphanium)
CID 173227828
cobalt;bis(2-methylsulfanylphenol);dihydrate
CID 70522952
2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol
CID 23597048
phenol;propan-2-ylphosphane
CID 142173645
2-methylsulfanylphenol;naphthalene
CID 174459188
2-(2-methylsulfanylphenyl)-6-phenylphenol
CID 142823591
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
CID 68562978
CID 68562978
dimethylamino-methylsulfanyl-diphenylphosphanium
CID 23418186
4-methyl-5-methylsulfanylbenzene-1,2,3-triol
CID 88715495
6,11-dihydroxy-8,9-bis(methylsulfanyl)tetracene-5,12-dione
CID 70940434
2-methylsulfanylbenzoate
CID 6932478

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium?
The IUPAC name of [4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium (CID 153369947) is [4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium.
What is the SMILES notation for [4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium?
The canonical SMILES for [4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium is CSc1cc([P+](P)(c2ccccc2)c2ccccc2)cc(SC)c1O.
What is the InChIKey of [4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium?
The InChIKey is YFKZCPSTZSPKAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20OP2S2/c1-24-18-13-17(14-19(25-2)20(18)21)23(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,22H2,1-2H3/p+1.
What are the key properties of [4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium?
[4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium has a molecular weight of 403.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium is sourced from PubChem (CID 153369947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).