(2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane

C24H46P2S — CID 170552528

IUPAC(2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane
SMILESCCCCc1sc(CCCC)c(P(CCC)CCC)c1P(CCC)CCC
InChIInChI=1S/C24H46P2S/c1-7-13-15-21-23(25(17-9-3)18-10-4)24(22(27-21)16-14-8-2)26(19-11-5)20-12-6/h7-20H2,1-6H3
InChIKeyRQGVTGIJYVDOTK-UHFFFAOYSA-N
MW428.65 g/mol
LogP8.29
Rot. Bonds16

About (2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane

(2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane (PubChem CID 170552528) has the molecular formula C24H46P2S and a molecular weight of 428.65 g/mol. Its IUPAC name is (2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane.

Molecular Properties

Compound Name(2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane
PubChem CID170552528
Molecular FormulaC24H46P2S
Molecular Weight428.65 g/mol
Exact Mass428.28
IUPAC Name(2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane
SMILESCCCCc1sc(CCCC)c(P(CCC)CCC)c1P(CCC)CCC
InChIInChI=1S/C24H46P2S/c1-7-13-15-21-23(25(17-9-3)18-10-4)24(22(27-21)16-14-8-2)26(19-11-5)20-12-6/h7-20H2,1-6H3
InChIKeyRQGVTGIJYVDOTK-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.65
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane
CID 170552426
CID 136801105
CID 136801105
dibutyl-[5-(4,5-dibutylthiophen-2-yl)pentyl]phosphane
CID 70250594
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane
CID 170552521
(4-butylphenyl)-ethyl-hexylphosphane
CID 90109509
5,6,11,12,17,18,23,24,29,30-decabutyl-31,32,33,34,35-pentathiahexacyclo[26.2.1.14,7.110,13.116,19.122,25]pentatriaconta-1,2,3,5,7,8,9,11,13,14,15,17,19,20,21,23,25,26,27,29-icosaene
CID 102372768
1,3-dibromo-5,7-dioctylthieno[3,4-f][2]benzothiole-4,8-dione
CID 132965993
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
2-butylcyclopenta-1,3-diene;hafnium;dibromide
CID 174700616
bis(2-butylcyclopenta-1,3-diene);hydride;titanium(4+)
CID 22023571
bis(2-butylcyclopenta-1,3-diene);titanium(4+);dichloride
CID 53471296

Frequently Asked Questions

What is the IUPAC name of (2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane?
The IUPAC name of (2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane (CID 170552528) is (2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane.
What is the SMILES notation for (2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane?
The canonical SMILES for (2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane is CCCCc1sc(CCCC)c(P(CCC)CCC)c1P(CCC)CCC.
What is the InChIKey of (2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane?
The InChIKey is RQGVTGIJYVDOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46P2S/c1-7-13-15-21-23(25(17-9-3)18-10-4)24(22(27-21)16-14-8-2)26(19-11-5)20-12-6/h7-20H2,1-6H3.
What are the key properties of (2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane?
(2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane has a molecular weight of 428.65 g/mol, XLogP of 8.29, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane is sourced from PubChem (CID 170552528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).