bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride

C36H46Cl2P2PtS2 — CID 53239806

IUPACbis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride
SMILESCC(C)(C)SCCP(c1ccccc1)c1ccccc1.CC(C)(C)SCCP(c1ccccc1)c1ccccc1.Cl[Pt+].[Cl-]
InChIInChI=1S/2C18H23PS.2ClH.Pt/c2*1-18(2,3)20-15-14-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;;;/h2*4-13H,14-15H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyUHZQFWYTGDHYIO-UHFFFAOYSA-L
MW870.83 g/mol
LogP6.99
Rot. Bonds10

About bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride

bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride (PubChem CID 53239806) has the molecular formula C36H46Cl2P2PtS2 and a molecular weight of 870.83 g/mol. Its IUPAC name is bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride.

Molecular Properties

Compound Namebis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride
PubChem CID53239806
Molecular FormulaC36H46Cl2P2PtS2
Molecular Weight870.83 g/mol
Exact Mass869.15
IUPAC Namebis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride
SMILESCC(C)(C)SCCP(c1ccccc1)c1ccccc1.CC(C)(C)SCCP(c1ccccc1)c1ccccc1.Cl[Pt+].[Cl-]
InChIInChI=1S/2C18H23PS.2ClH.Pt/c2*1-18(2,3)20-15-14-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;;;/h2*4-13H,14-15H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyUHZQFWYTGDHYIO-UHFFFAOYSA-L
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.83
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride?
The IUPAC name of bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride (CID 53239806) is bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride.
What is the SMILES notation for bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride?
The canonical SMILES for bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride is CC(C)(C)SCCP(c1ccccc1)c1ccccc1.CC(C)(C)SCCP(c1ccccc1)c1ccccc1.Cl[Pt+].[Cl-].
What is the InChIKey of bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride?
The InChIKey is UHZQFWYTGDHYIO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H23PS.2ClH.Pt/c2*1-18(2,3)20-15-14-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;;;/h2*4-13H,14-15H2,1-3H3;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride?
bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride has a molecular weight of 870.83 g/mol, XLogP of 6.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylsulfanylethyl(diphenyl)phosphane);chloroplatinum(1+);chloride is sourced from PubChem (CID 53239806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).