chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate

C12H23ClPtS2 — CID 159299942

IUPACchloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate
SMILESCC1CCC2CC1([S-])C2(C)C.CSC.Cl[Pt+]
InChIInChI=1S/C10H18S.C2H6S.ClH.Pt/c1-7-4-5-8-6-10(7,11)9(8,2)3;1-3-2;;/h7-8,11H,4-6H2,1-3H3;1-2H3;1H;/q;;;+2/p-2
InChIKeyLBEZJAQZXZHOKS-UHFFFAOYSA-L
MW461.98 g/mol
LogP4.41
Rot. Bonds

About chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate

chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate (PubChem CID 159299942) has the molecular formula C12H23ClPtS2 and a molecular weight of 461.98 g/mol. Its IUPAC name is chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate.

Molecular Properties

Compound Namechloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate
PubChem CID159299942
Molecular FormulaC12H23ClPtS2
Molecular Weight461.98 g/mol
Exact Mass461.06
IUPAC Namechloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate
SMILESCC1CCC2CC1([S-])C2(C)C.CSC.Cl[Pt+]
InChIInChI=1S/C10H18S.C2H6S.ClH.Pt/c1-7-4-5-8-6-10(7,11)9(8,2)3;1-3-2;;/h7-8,11H,4-6H2,1-3H3;1-2H3;1H;/q;;;+2/p-2
InChIKeyLBEZJAQZXZHOKS-UHFFFAOYSA-L
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.98
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate?
The IUPAC name of chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate (CID 159299942) is chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate.
What is the SMILES notation for chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate?
The canonical SMILES for chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate is CC1CCC2CC1([S-])C2(C)C.CSC.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate?
The InChIKey is LBEZJAQZXZHOKS-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H18S.C2H6S.ClH.Pt/c1-7-4-5-8-6-10(7,11)9(8,2)3;1-3-2;;/h7-8,11H,4-6H2,1-3H3;1-2H3;1H;/q;;;+2/p-2.
What are the key properties of chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate?
chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate has a molecular weight of 461.98 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate is sourced from PubChem (CID 159299942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).