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

C24H28O4P2S2Se — CID 102190119

IUPACbis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane
SMILESS=P(CCc1ccco1)(CCc1ccco1)[Se]P(=S)(CCc1ccco1)CCc1ccco1
InChIInChI=1S/C24H28O4P2S2Se/c31-29(17-9-21-5-1-13-25-21,18-10-22-6-2-14-26-22)33-30(32,19-11-23-7-3-15-27-23)20-12-24-8-4-16-28-24/h1-8,13-16H,9-12,17-20H2
InChIKeyMNBDEHCVABVINF-UHFFFAOYSA-N
MW585.53 g/mol
LogP6.82
Rot. Bonds14

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

bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane (PubChem CID 102190119) has the molecular formula C24H28O4P2S2Se and a molecular weight of 585.53 g/mol. Its IUPAC name is bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane
PubChem CID102190119
Molecular FormulaC24H28O4P2S2Se
Molecular Weight585.53 g/mol
Exact Mass586.01
IUPAC Namebis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane
SMILESS=P(CCc1ccco1)(CCc1ccco1)[Se]P(=S)(CCc1ccco1)CCc1ccco1
InChIInChI=1S/C24H28O4P2S2Se/c31-29(17-9-21-5-1-13-25-21,18-10-22-6-2-14-26-22)33-30(32,19-11-23-7-3-15-27-23)20-12-24-8-4-16-28-24/h1-8,13-16H,9-12,17-20H2
InChIKeyMNBDEHCVABVINF-UHFFFAOYSA-N
XLogP6.82
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.53
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane
CID 122223842
2-(furan-2-yl)ethanesulfonamide
CID 174885550
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
3-(furan-2-yl)propane-1-thiol
CID 12549643
2-(3-chloropropyl)furan
CID 12549641
2-(2-methoxyethyl)furan
CID 19010334
2-but-3-enylfuran
CID 11977163
2-(2-methylsulfanylethyl)furan
CID 45489970
furan-2-ylmethanethiol
CID 158949317
11-(furan-2-yl)undecan-1-ol
CID 139763920
2-(2,2,2-trifluoroethyl)furan
CID 67627445
2-(diselanylmethyl)furan
CID 174958831

Frequently Asked Questions

What is the IUPAC name of bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane?
The IUPAC name of bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane (CID 102190119) is bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane is S=P(CCc1ccco1)(CCc1ccco1)[Se]P(=S)(CCc1ccco1)CCc1ccco1.
What is the InChIKey of bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane?
The InChIKey is MNBDEHCVABVINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4P2S2Se/c31-29(17-9-21-5-1-13-25-21,18-10-22-6-2-14-26-22)33-30(32,19-11-23-7-3-15-27-23)20-12-24-8-4-16-28-24/h1-8,13-16H,9-12,17-20H2.
What are the key properties of bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane?
bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane has a molecular weight of 585.53 g/mol, XLogP of 6.82, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 102190119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).