ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane

C10H15PSSe — CID 23415888

IUPACethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane
SMILESCCSP(=[Se])(CC)c1ccccc1
InChIInChI=1S/C10H15PSSe/c1-3-11(13,12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyNHNPFKCGPWWKTN-UHFFFAOYSA-N
MW277.23 g/mol
LogP3.10
Rot. Bonds4

About ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane

ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane (PubChem CID 23415888) has the molecular formula C10H15PSSe and a molecular weight of 277.23 g/mol. Its IUPAC name is ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane
PubChem CID23415888
Molecular FormulaC10H15PSSe
Molecular Weight277.23 g/mol
Exact Mass277.98
IUPAC Nameethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane
SMILESCCSP(=[Se])(CC)c1ccccc1
InChIInChI=1S/C10H15PSSe/c1-3-11(13,12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyNHNPFKCGPWWKTN-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 16745118
CID 16745118
diphenylphosphinoselenoylmethyl-diphenyl-selanylidene-lambda5-phosphane
CID 10984404
bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride
CID 173375267
1-[ethylsulfanyl(phenyl)phosphoryl]butan-1-ol
CID 13048789
[ethyl(fluoro)phosphoryl]benzene
CID 23415746
[methyl(phenyl)phosphoryl]methanamine
CID 58489074
4-diphenylphosphinoselenoyl-N-ethylaniline
CID 13027615
ethyl-methyl-phenyl-trimethylsilylimino-lambda5-phosphane
CID 12750881
4-diphenylphosphinoselenoylsulfanylbutan-2-one
CID 11748924
tris(ethyl-phenyl-sulfanylidene-sulfido-λ5-phosphane);zirconium(3+)
CID 174385466
ethyl-diphenyl-phenylimino-lambda5-phosphane
CID 13452462
1,3-bis[ethyl(phenyl)phosphoryl]benzene
CID 59816903

Frequently Asked Questions

What is the IUPAC name of ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane?
The IUPAC name of ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane (CID 23415888) is ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane.
What is the SMILES notation for ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane?
The canonical SMILES for ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane is CCSP(=[Se])(CC)c1ccccc1.
What is the InChIKey of ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane?
The InChIKey is NHNPFKCGPWWKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15PSSe/c1-3-11(13,12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane?
ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane has a molecular weight of 277.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane is sourced from PubChem (CID 23415888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).