(4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane

C20H16FOPS3 — CID 146180493

IUPAC(4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane
SMILESFc1ccc(SP2(=S)O[C@H](c3ccccc3)[C@H](c3ccccc3)S2)cc1
InChIInChI=1S/C20H16FOPS3/c21-17-11-13-18(14-12-17)25-23(24)22-19(15-7-3-1-4-8-15)20(26-23)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20+,23?/m1/s1
InChIKeyLHBKSYBQAGDKGH-ZCQKWSGTSA-N
MW418.52 g/mol
LogP7.39
Rot. Bonds4

About (4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane

(4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane (PubChem CID 146180493) has the molecular formula C20H16FOPS3 and a molecular weight of 418.52 g/mol. Its IUPAC name is (4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane.

Molecular Properties

Compound Name(4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane
PubChem CID146180493
Molecular FormulaC20H16FOPS3
Molecular Weight418.52 g/mol
Exact Mass418.01
IUPAC Name(4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane
SMILESFc1ccc(SP2(=S)O[C@H](c3ccccc3)[C@H](c3ccccc3)S2)cc1
InChIInChI=1S/C20H16FOPS3/c21-17-11-13-18(14-12-17)25-23(24)22-19(15-7-3-1-4-8-15)20(26-23)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20+,23?/m1/s1
InChIKeyLHBKSYBQAGDKGH-ZCQKWSGTSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane?
The IUPAC name of (4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane (CID 146180493) is (4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane.
What is the SMILES notation for (4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane?
The canonical SMILES for (4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane is Fc1ccc(SP2(=S)O[C@H](c3ccccc3)[C@H](c3ccccc3)S2)cc1.
What is the InChIKey of (4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane?
The InChIKey is LHBKSYBQAGDKGH-ZCQKWSGTSA-N. The full InChI is InChI=1S/C20H16FOPS3/c21-17-11-13-18(14-12-17)25-23(24)22-19(15-7-3-1-4-8-15)20(26-23)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20+,23?/m1/s1.
What are the key properties of (4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane?
(4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane has a molecular weight of 418.52 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-(4-fluorophenyl)sulfanyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane is sourced from PubChem (CID 146180493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).