2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+)

C24H37Cl2NP2RuS+2 — CID 157329011

IUPAC2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+)
SMILESCCP(CC)CC(Cl)Cl.CCSCCNCCP(c1ccccc1)c1ccccc1.[Ru+2]
InChIInChI=1S/C18H24NPS.C6H13Cl2P.Ru/c1-2-21-16-14-19-13-15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-3-9(4-2)5-6(7)8;/h3-12,19H,2,13-16H2,1H3;6H,3-5H2,1-2H3;/q;;+2
InChIKeyBFBISCHZSNFWJE-UHFFFAOYSA-N
MW605.56 g/mol
LogP6.77
Rot. Bonds13

About 2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+)

2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+) (PubChem CID 157329011) has the molecular formula C24H37Cl2NP2RuS+2 and a molecular weight of 605.56 g/mol. Its IUPAC name is 2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+).

Molecular Properties

Compound Name2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+)
PubChem CID157329011
Molecular FormulaC24H37Cl2NP2RuS+2
Molecular Weight605.56 g/mol
Exact Mass605.05
IUPAC Name2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+)
SMILESCCP(CC)CC(Cl)Cl.CCSCCNCCP(c1ccccc1)c1ccccc1.[Ru+2]
InChIInChI=1S/C18H24NPS.C6H13Cl2P.Ru/c1-2-21-16-14-19-13-15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-3-9(4-2)5-6(7)8;/h3-12,19H,2,13-16H2,1H3;6H,3-5H2,1-2H3;/q;;+2
InChIKeyBFBISCHZSNFWJE-UHFFFAOYSA-N
XLogP6.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.56
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,3-dichloro-4-(trifluoromethyl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+)
CID 158444274
2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride
CID 170920405
N-benzhydryl-2-ethylsulfanylethanamine
CID 115635448
2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine
CID 118256012
dichloronickel;bis(diphenyl(propyl)phosphane)
CID 87129784
dichloroiron;diphenyl(propyl)phosphane
CID 175149268
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
2-[3-(2-diphenylphosphanylethylsulfanyl)propylsulfanyl]ethyl-diphenylphosphane
CID 6396083
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal
CID 174817207
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
2-ethylsulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 104668531

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+)?
The IUPAC name of 2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+) (CID 157329011) is 2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+).
What is the SMILES notation for 2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+)?
The canonical SMILES for 2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+) is CCP(CC)CC(Cl)Cl.CCSCCNCCP(c1ccccc1)c1ccccc1.[Ru+2].
What is the InChIKey of 2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+)?
The InChIKey is BFBISCHZSNFWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NPS.C6H13Cl2P.Ru/c1-2-21-16-14-19-13-15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-3-9(4-2)5-6(7)8;/h3-12,19H,2,13-16H2,1H3;6H,3-5H2,1-2H3;/q;;+2.
What are the key properties of 2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+)?
2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+) has a molecular weight of 605.56 g/mol, XLogP of 6.77, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethyl(diethyl)phosphane;2-diphenylphosphanyl-N-(2-ethylsulfanylethyl)ethanamine;ruthenium(2+) is sourced from PubChem (CID 157329011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).