[4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane

C16H12F8P2S2 — CID 11179146

IUPAC[4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane
SMILESCP(C)(=S)c1c(F)c(F)c(-c2c(F)c(F)c(P(C)(C)=S)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H12F8P2S2/c1-25(2,27)15-11(21)7(17)5(8(18)12(15)22)6-9(19)13(23)16(26(3,4)28)14(24)10(6)20/h1-4H3
InChIKeyYUKBQZKEUQWRFB-UHFFFAOYSA-N
MW482.34 g/mol
LogP5.20
Rot. Bonds3

About [4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane

[4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane (PubChem CID 11179146) has the molecular formula C16H12F8P2S2 and a molecular weight of 482.34 g/mol. Its IUPAC name is [4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane
PubChem CID11179146
Molecular FormulaC16H12F8P2S2
Molecular Weight482.34 g/mol
Exact Mass481.97
IUPAC Name[4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane
SMILESCP(C)(=S)c1c(F)c(F)c(-c2c(F)c(F)c(P(C)(C)=S)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H12F8P2S2/c1-25(2,27)15-11(21)7(17)5(8(18)12(15)22)6-9(19)13(23)16(26(3,4)28)14(24)10(6)20/h1-4H3
InChIKeyYUKBQZKEUQWRFB-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.34
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane (CID 11179146) is [4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane is CP(C)(=S)c1c(F)c(F)c(-c2c(F)c(F)c(P(C)(C)=S)c(F)c2F)c(F)c1F.
What is the InChIKey of [4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane?
The InChIKey is YUKBQZKEUQWRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F8P2S2/c1-25(2,27)15-11(21)7(17)5(8(18)12(15)22)6-9(19)13(23)16(26(3,4)28)14(24)10(6)20/h1-4H3.
What are the key properties of [4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane?
[4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane has a molecular weight of 482.34 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11179146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).