tris(2-phenylsulfanylethyl) phosphite

C24H27O3PS3 — CID 154086310

IUPACtris(2-phenylsulfanylethyl) phosphite
SMILESc1ccc(SCCOP(OCCSc2ccccc2)OCCSc2ccccc2)cc1
InChIInChI=1S/C24H27O3PS3/c1-4-10-22(11-5-1)29-19-16-25-28(26-17-20-30-23-12-6-2-7-13-23)27-18-21-31-24-14-8-3-9-15-24/h1-15H,16-21H2
InChIKeyXXDFULNEXQWRSY-UHFFFAOYSA-N
MW490.65 g/mol
LogP7.64
Rot. Bonds15

About tris(2-phenylsulfanylethyl) phosphite

tris(2-phenylsulfanylethyl) phosphite (PubChem CID 154086310) has the molecular formula C24H27O3PS3 and a molecular weight of 490.65 g/mol. Its IUPAC name is tris(2-phenylsulfanylethyl) phosphite.

Molecular Properties

Compound Nametris(2-phenylsulfanylethyl) phosphite
PubChem CID154086310
Molecular FormulaC24H27O3PS3
Molecular Weight490.65 g/mol
Exact Mass490.09
IUPAC Nametris(2-phenylsulfanylethyl) phosphite
SMILESc1ccc(SCCOP(OCCSc2ccccc2)OCCSc2ccccc2)cc1
InChIInChI=1S/C24H27O3PS3/c1-4-10-22(11-5-1)29-19-16-25-28(26-17-20-30-23-12-6-2-7-13-23)27-18-21-31-24-14-8-3-9-15-24/h1-15H,16-21H2
InChIKeyXXDFULNEXQWRSY-UHFFFAOYSA-N
XLogP7.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-phenylsulfanylethyl hydrogen carbonate
CID 54537895
lithium 2-phenylsulfanylethanethiolate
CID 102509871
2-[2-[2-(2-phenylsulfanylethylsulfanyl)ethoxy]ethylsulfanyl]ethylsulfanylbenzene
CID 100985455
4-(2-phenylsulfanylethoxy)benzene-1,2-diamine
CID 21496504
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
2-pentoxyethylsulfanylbenzene
CID 79403621
2-phenylsulfanylethanesulfonyl chloride
CID 13418706
ethane;2-phenylsulfanylethanethiol
CID 142910826
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217
2-(benzenesulfonyl)ethylsulfanylbenzene
CID 737205
1,2-dimethyl-4-(2-phenylsulfanylethylsulfanyl)benzene
CID 79326651

Frequently Asked Questions

What is the IUPAC name of tris(2-phenylsulfanylethyl) phosphite?
The IUPAC name of tris(2-phenylsulfanylethyl) phosphite (CID 154086310) is tris(2-phenylsulfanylethyl) phosphite.
What is the SMILES notation for tris(2-phenylsulfanylethyl) phosphite?
The canonical SMILES for tris(2-phenylsulfanylethyl) phosphite is c1ccc(SCCOP(OCCSc2ccccc2)OCCSc2ccccc2)cc1.
What is the InChIKey of tris(2-phenylsulfanylethyl) phosphite?
The InChIKey is XXDFULNEXQWRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O3PS3/c1-4-10-22(11-5-1)29-19-16-25-28(26-17-20-30-23-12-6-2-7-13-23)27-18-21-31-24-14-8-3-9-15-24/h1-15H,16-21H2.
What are the key properties of tris(2-phenylsulfanylethyl) phosphite?
tris(2-phenylsulfanylethyl) phosphite has a molecular weight of 490.65 g/mol, XLogP of 7.64, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-phenylsulfanylethyl) phosphite is sourced from PubChem (CID 154086310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).