About bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide
bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide (PubChem CID 23638565) has the molecular formula C31H76Ni2P4S2+4
and a molecular weight of 754.36 g/mol. Its IUPAC name is bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide.
Molecular Properties
| Compound Name | bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide |
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| PubChem CID | 23638565 |
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| Molecular Formula | C31H76Ni2P4S2+4 |
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| Molecular Weight | 754.36 g/mol |
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| Exact Mass | 752.30 |
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| IUPAC Name | bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide |
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| SMILES | CC(C)[PH+](CC[PH+](C(C)C)C(C)C)C(C)C.CC(C)[PH+](CC[PH+](C(C)C)C(C)C)C(C)C.CC(C)[S-].[Ni+2].[Ni].[SH-] |
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| InChI | InChI=1S/2C14H32P2.C3H8S.2Ni.H2S/c2*1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;1-3(2)4;;;/h2*11-14H,9-10H2,1-8H3;3-4H,1-2H3;;;1H2/q;;;;+2;/p+2 |
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| InChIKey | WTCNDNKLYZNPKK-UHFFFAOYSA-P |
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| XLogP | 10.76 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 754.36 |
| LogP ≤ 5 | 10.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide?
The IUPAC name of bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide (CID 23638565) is bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide.
What is the SMILES notation for bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide?
The canonical SMILES for bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide is CC(C)[PH+](CC[PH+](C(C)C)C(C)C)C(C)C.CC(C)[PH+](CC[PH+](C(C)C)C(C)C)C(C)C.CC(C)[S-].[Ni+2].[Ni].[SH-].
What is the InChIKey of bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide?
The InChIKey is WTCNDNKLYZNPKK-UHFFFAOYSA-P. The full InChI is InChI=1S/2C14H32P2.C3H8S.2Ni.H2S/c2*1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;1-3(2)4;;;/h2*11-14H,9-10H2,1-8H3;3-4H,1-2H3;;;1H2/q;;;;+2;/p+2.
What are the key properties of bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide?
bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide has a molecular weight of 754.36 g/mol, XLogP of 10.76, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium);nickel;nickel(2+);propane-2-thiolate;sulfanide is sourced from PubChem (CID 23638565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).