bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)

C38H40N2P2RuS4 — CID 11967242

IUPACbis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].[Ru+2].c1ccc([C@H](CP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H28P2.2C3H7NS2.Ru/c1-6-16-27(17-7-1)32(34(30-22-12-4-13-23-30)31-24-14-5-15-25-31)26-33(28-18-8-2-9-19-28)29-20-10-3-11-21-29;2*1-4(2)3(5)6;/h1-25,32H,26H2;2*1-2H3,(H,5,6);/q;;;+2/p-2/t32-;;;/m0.../s1
InChIKeyGSTQMOUKXJQSPR-ZFVGBDEVSA-L
MW816.04 g/mol
LogP7.75
Rot. Bonds8

About bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)

bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+) (PubChem CID 11967242) has the molecular formula C38H40N2P2RuS4 and a molecular weight of 816.04 g/mol. Its IUPAC name is bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+).

Molecular Properties

Compound Namebis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)
PubChem CID11967242
Molecular FormulaC38H40N2P2RuS4
Molecular Weight816.04 g/mol
Exact Mass816.06
IUPAC Namebis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].[Ru+2].c1ccc([C@H](CP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H28P2.2C3H7NS2.Ru/c1-6-16-27(17-7-1)32(34(30-22-12-4-13-23-30)31-24-14-5-15-25-31)26-33(28-18-8-2-9-19-28)29-20-10-3-11-21-29;2*1-4(2)3(5)6;/h1-25,32H,26H2;2*1-2H3,(H,5,6);/q;;;+2/p-2/t32-;;;/m0.../s1
InChIKeyGSTQMOUKXJQSPR-ZFVGBDEVSA-L
XLogP7.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.04
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane
CID 11967243
(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane
CID 141367967
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
3-diphenylphosphanyl-3-phenylpropanoic acid
CID 11759426
2,2-bis(diphenylphosphanyl)ethanedithioate
CID 102010379
3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol
CID 139228235
(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol
CID 12914091
[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane
CID 101382224
(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol
CID 101090022
1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane
CID 20520952
2-deuterio-3-diphenylphosphanyl-3-phenylpropanal
CID 139228240
(R)-N-[(1R)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide
CID 163340342

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)?
The IUPAC name of bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+) (CID 11967242) is bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+).
What is the SMILES notation for bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)?
The canonical SMILES for bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+) is CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Ru+2].c1ccc([C@H](CP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)?
The InChIKey is GSTQMOUKXJQSPR-ZFVGBDEVSA-L. The full InChI is InChI=1S/C32H28P2.2C3H7NS2.Ru/c1-6-16-27(17-7-1)32(34(30-22-12-4-13-23-30)31-24-14-5-15-25-31)26-33(28-18-8-2-9-19-28)29-20-10-3-11-21-29;2*1-4(2)3(5)6;/h1-25,32H,26H2;2*1-2H3,(H,5,6);/q;;;+2/p-2/t32-;;;/m0.../s1.
What are the key properties of bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)?
bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+) has a molecular weight of 816.04 g/mol, XLogP of 7.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+) is sourced from PubChem (CID 11967242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).