(4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane

C18H26P2S — CID 170552435

IUPAC(4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane
SMILESCCP(CC)c1csc(-c2ccccc2)c1P(CC)CC
InChIInChI=1S/C18H26P2S/c1-5-19(6-2)16-14-21-18(15-12-10-9-11-13-15)17(16)20(7-3)8-4/h9-14H,5-8H2,1-4H3
InChIKeyRGKVUIHHHNHRAR-UHFFFAOYSA-N
MW336.42 g/mol
LogP5.71
Rot. Bonds7

About (4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane

(4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane (PubChem CID 170552435) has the molecular formula C18H26P2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane.

Molecular Properties

Compound Name(4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane
PubChem CID170552435
Molecular FormulaC18H26P2S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name(4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane
SMILESCCP(CC)c1csc(-c2ccccc2)c1P(CC)CC
InChIInChI=1S/C18H26P2S/c1-5-19(6-2)16-14-21-18(15-12-10-9-11-13-15)17(16)20(7-3)8-4/h9-14H,5-8H2,1-4H3
InChIKeyRGKVUIHHHNHRAR-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.42
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane?
The IUPAC name of (4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane (CID 170552435) is (4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane.
What is the SMILES notation for (4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane?
The canonical SMILES for (4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane is CCP(CC)c1csc(-c2ccccc2)c1P(CC)CC.
What is the InChIKey of (4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane?
The InChIKey is RGKVUIHHHNHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26P2S/c1-5-19(6-2)16-14-21-18(15-12-10-9-11-13-15)17(16)20(7-3)8-4/h9-14H,5-8H2,1-4H3.
What are the key properties of (4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane?
(4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane has a molecular weight of 336.42 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diethylphosphanyl-2-phenylthiophen-3-yl)-diethylphosphane is sourced from PubChem (CID 170552435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).