dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane

C26H34Cl2NPRuS2 — CID 71573918

IUPACdichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane
SMILESCCSCCNCCSCC.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H19NS2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-10-7-5-9-6-8-11-4-2;;;/h1-15H;9H,3-8H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyZQGMNGJIEYHKBR-UHFFFAOYSA-L
MW627.65 g/mol
LogP6.90
Rot. Bonds11

About dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane

dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane (PubChem CID 71573918) has the molecular formula C26H34Cl2NPRuS2 and a molecular weight of 627.65 g/mol. Its IUPAC name is dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane.

Molecular Properties

Compound Namedichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane
PubChem CID71573918
Molecular FormulaC26H34Cl2NPRuS2
Molecular Weight627.65 g/mol
Exact Mass627.03
IUPAC Namedichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane
SMILESCCSCCNCCSCC.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H19NS2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-10-7-5-9-6-8-11-4-2;;;/h1-15H;9H,3-8H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyZQGMNGJIEYHKBR-UHFFFAOYSA-L
XLogP6.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.65
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane?
The IUPAC name of dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane (CID 71573918) is dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane.
What is the SMILES notation for dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane?
The canonical SMILES for dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane is CCSCCNCCSCC.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane?
The InChIKey is ZQGMNGJIEYHKBR-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15P.C8H19NS2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-10-7-5-9-6-8-11-4-2;;;/h1-15H;9H,3-8H2,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane?
dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane has a molecular weight of 627.65 g/mol, XLogP of 6.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;triphenylphosphane is sourced from PubChem (CID 71573918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).