bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane

C20H23O2PS2 — CID 122223842

IUPACbis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane
SMILESS=P(CCSc1ccccc1)(CCc1ccco1)CCc1ccco1
InChIInChI=1S/C20H23O2PS2/c24-23(14-10-18-6-4-12-21-18,15-11-19-7-5-13-22-19)16-17-25-20-8-2-1-3-9-20/h1-9,12-13H,10-11,14-17H2
InChIKeyDSSRZPGMHFJZTB-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.93
Rot. Bonds10

About bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane

bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane (PubChem CID 122223842) has the molecular formula C20H23O2PS2 and a molecular weight of 390.51 g/mol. Its IUPAC name is bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane
PubChem CID122223842
Molecular FormulaC20H23O2PS2
Molecular Weight390.51 g/mol
Exact Mass390.09
IUPAC Namebis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane
SMILESS=P(CCSc1ccccc1)(CCc1ccco1)CCc1ccco1
InChIInChI=1S/C20H23O2PS2/c24-23(14-10-18-6-4-12-21-18,15-11-19-7-5-13-22-19)16-17-25-20-8-2-1-3-9-20/h1-9,12-13H,10-11,14-17H2
InChIKeyDSSRZPGMHFJZTB-UHFFFAOYSA-N
XLogP5.93
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol
CID 132604993
bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane
CID 102190119
2-[bis(2-phenylsulfanylethyl)phosphoryl]ethylsulfanylbenzene
CID 71359429
2-(2-methylsulfanylethyl)furan
CID 45489970
2-[2-(furan-2-yl)ethyl]-1-(2-phenylsulfanylethyl)-3-prop-2-enylguanidine;hydroiodide
CID 136920682
1-[2-(furan-2-yl)ethyl]-2-[2-(2-hydroxyethoxy)ethyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111979668
1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111493954
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842330
N-[3-[[[2-(furan-2-yl)ethylamino]-(2-phenylsulfanylethylamino)methylidene]amino]propyl]acetamide
CID 111842352
2-(2-methoxyethyl)furan
CID 19010334
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 112761159
2-phenylsulfanylfuran
CID 11805267

Frequently Asked Questions

What is the IUPAC name of bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane (CID 122223842) is bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane is S=P(CCSc1ccccc1)(CCc1ccco1)CCc1ccco1.
What is the InChIKey of bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane?
The InChIKey is DSSRZPGMHFJZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O2PS2/c24-23(14-10-18-6-4-12-21-18,15-11-19-7-5-13-22-19)16-17-25-20-8-2-1-3-9-20/h1-9,12-13H,10-11,14-17H2.
What are the key properties of bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane?
bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane has a molecular weight of 390.51 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 122223842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).