bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium

C26H27O4S+ — CID 59319783

IUPACbis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium
SMILESC=COCCOc1ccc([S+](c2ccccc2)c2ccc(OCCOC=C)cc2)cc1
InChIInChI=1S/C26H27O4S/c1-3-27-18-20-29-22-10-14-25(15-11-22)31(24-8-6-5-7-9-24)26-16-12-23(13-17-26)30-21-19-28-4-2/h3-17H,1-2,18-21H2/q+1
InChIKeyPPICGYSFLQQNRD-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.86
Rot. Bonds13

About bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium

bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium (PubChem CID 59319783) has the molecular formula C26H27O4S+ and a molecular weight of 435.57 g/mol. Its IUPAC name is bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium.

Molecular Properties

Compound Namebis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium
PubChem CID59319783
Molecular FormulaC26H27O4S+
Molecular Weight435.57 g/mol
Exact Mass435.16
IUPAC Namebis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium
SMILESC=COCCOc1ccc([S+](c2ccccc2)c2ccc(OCCOC=C)cc2)cc1
InChIInChI=1S/C26H27O4S/c1-3-27-18-20-29-22-10-14-25(15-11-22)31(24-8-6-5-7-9-24)26-16-12-23(13-17-26)30-21-19-28-4-2/h3-17H,1-2,18-21H2/q+1
InChIKeyPPICGYSFLQQNRD-UHFFFAOYSA-N
XLogP5.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

[4-(2-ethenoxyethoxy)phenyl]-phenyldiazene
CID 86210096
6-ethenoxyhexoxybenzene
CID 57094182
1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012
bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]sulfanium;2-(trifluoromethyl)benzenesulfonate
CID 87572956
diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium
CID 59584286
4-(2-ethenoxyethoxy)benzoic acid
CID 15390034
9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
CID 68925049
bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate
CID 141214793
1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene
CID 140750024
N-[4-(2-ethenoxyethoxy)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58251088
sodium 4-(2-ethenoxyethoxy)benzoate
CID 66850784
3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol
CID 123795084

Frequently Asked Questions

What is the IUPAC name of bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium?
The IUPAC name of bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium (CID 59319783) is bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium.
What is the SMILES notation for bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium?
The canonical SMILES for bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium is C=COCCOc1ccc([S+](c2ccccc2)c2ccc(OCCOC=C)cc2)cc1.
What is the InChIKey of bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium?
The InChIKey is PPICGYSFLQQNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27O4S/c1-3-27-18-20-29-22-10-14-25(15-11-22)31(24-8-6-5-7-9-24)26-16-12-23(13-17-26)30-21-19-28-4-2/h3-17H,1-2,18-21H2/q+1.
What are the key properties of bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium?
bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium has a molecular weight of 435.57 g/mol, XLogP of 5.86, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium is sourced from PubChem (CID 59319783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).