[(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane

C21H25PS — CID 102083818

IUPAC[(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESC=CC/C(=C\CCCC)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25PS/c1-3-5-8-14-19(13-4-2)22(23,20-15-9-6-10-16-20)21-17-11-7-12-18-21/h4,6-7,9-12,14-18H,2-3,5,8,13H2,1H3/b19-14+
InChIKeyJBUHBEXKPTZDRI-XMHGGMMESA-N
MW340.47 g/mol
LogP5.77
Rot. Bonds8

About [(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane

[(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 102083818) has the molecular formula C21H25PS and a molecular weight of 340.47 g/mol. Its IUPAC name is [(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID102083818
Molecular FormulaC21H25PS
Molecular Weight340.47 g/mol
Exact Mass340.14
IUPAC Name[(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESC=CC/C(=C\CCCC)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25PS/c1-3-5-8-14-19(13-4-2)22(23,20-15-9-6-10-16-20)21-17-11-7-12-18-21/h4,6-7,9-12,14-18H,2-3,5,8,13H2,1H3/b19-14+
InChIKeyJBUHBEXKPTZDRI-XMHGGMMESA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 102184006
hex-1-ene;toluene
CID 22480689
1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 11099759
dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine
CID 130397670
benzene;buta-1,3-diene;hex-1-ene
CID 159461110
[(4E,6E)-undeca-1,4,6-trien-5-yl]benzene
CID 101219180
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
[(Z)-dec-5-en-5-yl]oxybenzene
CID 135061191
[(E)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 154722495
[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 122379298
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616

Frequently Asked Questions

What is the IUPAC name of [(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane (CID 102083818) is [(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane is C=CC/C(=C\CCCC)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is JBUHBEXKPTZDRI-XMHGGMMESA-N. The full InChI is InChI=1S/C21H25PS/c1-3-5-8-14-19(13-4-2)22(23,20-15-9-6-10-16-20)21-17-11-7-12-18-21/h4,6-7,9-12,14-18H,2-3,5,8,13H2,1H3/b19-14+.
What are the key properties of [(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane?
[(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 340.47 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 102083818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).