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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Related Compounds

(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
CID 175971620
18-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)octadecan-1-ol
CID 175720110
copper;1H-imidazole;bis(2,6,6-trimethylbicyclo[3.1.1]heptan-1-amine)
CID 158493322
1-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)imidazole
CID 139835335
2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 154444877
1,2,6,6-tetramethylbicyclo[3.2.1]octane
CID 91498666
(1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol
CID 71499837
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
CID 15484337
2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol
CID 175803102
(1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene
CID 91750213
N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine
CID 14706528

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).