[(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane

C29H28P2S2 — CID 102184006

IUPAC[(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCCC/C(=C/P(=S)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28P2S2/c1-2-15-29(31(33,27-20-11-5-12-21-27)28-22-13-6-14-23-28)24-30(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h3-14,16-24H,2,15H2,1H3/b29-24-
InChIKeyNKFWCVSXDOHEAE-OLFWJLLRSA-N
MW502.63 g/mol
LogP6.89
Rot. Bonds8

About [(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane

[(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 102184006) has the molecular formula C29H28P2S2 and a molecular weight of 502.63 g/mol. Its IUPAC name is [(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID102184006
Molecular FormulaC29H28P2S2
Molecular Weight502.63 g/mol
Exact Mass502.11
IUPAC Name[(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCCC/C(=C/P(=S)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28P2S2/c1-2-15-29(31(33,27-20-11-5-12-21-27)28-22-13-6-14-23-28)24-30(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h3-14,16-24H,2,15H2,1H3/b29-24-
InChIKeyNKFWCVSXDOHEAE-OLFWJLLRSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-diphenylphosphinothioyl-1-phenylethenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 11706501
[(4E)-nona-1,4-dien-4-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 102083818
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 11099759
[(E)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 154722495
[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 122379298
[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 54762904
diphenyl-sulfanylidene-[(Z)-2-trimethylsilylethenyl]-λ5-phosphane
CID 122379303
dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
(E)-2-diphenylphosphinothioyl-1,3-diphenylhept-2-en-1-one
CID 102083814
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
[(1E)-4-methylpenta-1,3-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 12608266

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane (CID 102184006) is [(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane is CCC/C(=C/P(=S)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is NKFWCVSXDOHEAE-OLFWJLLRSA-N. The full InChI is InChI=1S/C29H28P2S2/c1-2-15-29(31(33,27-20-11-5-12-21-27)28-22-13-6-14-23-28)24-30(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h3-14,16-24H,2,15H2,1H3/b29-24-.
What are the key properties of [(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?
[(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 502.63 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-diphenylphosphinothioylpent-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 102184006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).