chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane

C20H26ClO2PS — CID 87901386

IUPACchloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCCc1cc(CC)cc(OP(=S)(Cl)Oc2cc(CC)cc(CC)c2)c1
InChIInChI=1S/C20H26ClO2PS/c1-5-15-9-16(6-2)12-19(11-15)22-24(21,25)23-20-13-17(7-3)10-18(8-4)14-20/h9-14H,5-8H2,1-4H3
InChIKeyFCLGUDGBDJWZHR-UHFFFAOYSA-N
MW396.92 g/mol
LogP6.86
Rot. Bonds8

About chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane

chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 87901386) has the molecular formula C20H26ClO2PS and a molecular weight of 396.92 g/mol. Its IUPAC name is chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane
PubChem CID87901386
Molecular FormulaC20H26ClO2PS
Molecular Weight396.92 g/mol
Exact Mass396.11
IUPAC Namechloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCCc1cc(CC)cc(OP(=S)(Cl)Oc2cc(CC)cc(CC)c2)c1
InChIInChI=1S/C20H26ClO2PS/c1-5-15-9-16(6-2)12-19(11-15)22-24(21,25)23-20-13-17(7-3)10-18(8-4)14-20/h9-14H,5-8H2,1-4H3
InChIKeyFCLGUDGBDJWZHR-UHFFFAOYSA-N
XLogP6.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane (CID 87901386) is chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane is CCc1cc(CC)cc(OP(=S)(Cl)Oc2cc(CC)cc(CC)c2)c1.
What is the InChIKey of chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is FCLGUDGBDJWZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClO2PS/c1-5-15-9-16(6-2)12-19(11-15)22-24(21,25)23-20-13-17(7-3)10-18(8-4)14-20/h9-14H,5-8H2,1-4H3.
What are the key properties of chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane?
chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 396.92 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87901386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).