[(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane

C18H19PS — CID 12608266

IUPAC[(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCC(C)=C/C=C/P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19PS/c1-16(2)10-9-15-19(20,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-15H,1-2H3/b15-9+
InChIKeyBLLPQFMAVZLCSY-OQLLNIDSSA-N
MW298.39 g/mol
LogP4.60
Rot. Bonds4

About [(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane

[(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 12608266) has the molecular formula C18H19PS and a molecular weight of 298.39 g/mol. Its IUPAC name is [(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID12608266
Molecular FormulaC18H19PS
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name[(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCC(C)=C/C=C/P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19PS/c1-16(2)10-9-15-19(20,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-15H,1-2H3/b15-9+
InChIKeyBLLPQFMAVZLCSY-OQLLNIDSSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-sulfanylidene-[(Z)-2-trimethylsilylethenyl]-λ5-phosphane
CID 122379303
4-methylpenta-1,3-dienylbenzene
CID 3614395
[(E)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 154722495
[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 122379298
dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride
CID 139088086
[(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 11706501
CID 50986602
CID 50986602
diphenyl-sulfanylidene-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-λ5-phosphane
CID 134850634
[(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 102184006
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 172809471
[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 54762904

Frequently Asked Questions

What is the IUPAC name of [(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 12608266) is [(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane is CC(C)=C/C=C/P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is BLLPQFMAVZLCSY-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H19PS/c1-16(2)10-9-15-19(20,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-15H,1-2H3/b15-9+.
What are the key properties of [(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane?
[(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 298.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 12608266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).