bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium

C20H26O5PS2+ — CID 23361439

IUPACbis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium
SMILESCOc1ccc(SC(C)(C)O[P+](=O)OC(C)(C)Sc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26O5PS2/c1-19(2,27-17-11-7-15(22-5)8-12-17)24-26(21)25-20(3,4)28-18-13-9-16(23-6)10-14-18/h7-14H,1-6H3/q+1
InChIKeyMWABMTYIAJUZFH-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.75
Rot. Bonds10

About bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium

bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium (PubChem CID 23361439) has the molecular formula C20H26O5PS2+ and a molecular weight of 441.53 g/mol. Its IUPAC name is bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium.

Molecular Properties

Compound Namebis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium
PubChem CID23361439
Molecular FormulaC20H26O5PS2+
Molecular Weight441.53 g/mol
Exact Mass441.10
IUPAC Namebis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium
SMILESCOc1ccc(SC(C)(C)O[P+](=O)OC(C)(C)Sc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26O5PS2/c1-19(2,27-17-11-7-15(22-5)8-12-17)24-26(21)25-20(3,4)28-18-13-9-16(23-6)10-14-18/h7-14H,1-6H3/q+1
InChIKeyMWABMTYIAJUZFH-UHFFFAOYSA-N
XLogP6.75
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)sulfanyl-3-methylbutanoyl chloride
CID 22323720
1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene
CID 86117661
N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide
CID 57116563
2,2-dimethyl-1-(4-methylsulfanylphenyl)propan-1-one;1-(4-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 159934991
1-[1,1-bis(phenylsulfanyl)ethyl]-4-methoxybenzene
CID 102387106
bis[(2,4-dimethyl-3-phenylsulfanylpentan-3-yl)oxy]-oxophosphanium
CID 23361437
CID 102373172
CID 102373172
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
ethyl 3,3-bis[(4-methoxyphenyl)sulfanyl]-3-phenylpropanoate
CID 14593774
1-methoxy-4-(4-methoxyphenyl)selenonylbenzene
CID 11771710
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
CID 117032804

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium?
The IUPAC name of bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium (CID 23361439) is bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium.
What is the SMILES notation for bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium?
The canonical SMILES for bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium is COc1ccc(SC(C)(C)O[P+](=O)OC(C)(C)Sc2ccc(OC)cc2)cc1.
What is the InChIKey of bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium?
The InChIKey is MWABMTYIAJUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5PS2/c1-19(2,27-17-11-7-15(22-5)8-12-17)24-26(21)25-20(3,4)28-18-13-9-16(23-6)10-14-18/h7-14H,1-6H3/q+1.
What are the key properties of bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium?
bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium has a molecular weight of 441.53 g/mol, XLogP of 6.75, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-methoxyphenyl)sulfanylpropan-2-yloxy]-oxophosphanium is sourced from PubChem (CID 23361439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).