2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride

C7H12ClN2PtS+ — CID 11567222

IUPAC2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride
SMILESCCSCc1nccn1C.[Cl-].[Pt+2]
InChIInChI=1S/C7H12N2S.ClH.Pt/c1-3-10-6-7-8-4-5-9(7)2;;/h4-5H,3,6H2,1-2H3;1H;/q;;+2/p-1
InChIKeyLDFRGPVMHGISDF-UHFFFAOYSA-M
MW386.79 g/mol
LogP-1.33
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride

2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride (PubChem CID 11567222) has the molecular formula C7H12ClN2PtS+ and a molecular weight of 386.79 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride
PubChem CID11567222
Molecular FormulaC7H12ClN2PtS+
Molecular Weight386.79 g/mol
Exact Mass386.01
IUPAC Name2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride
SMILESCCSCc1nccn1C.[Cl-].[Pt+2]
InChIInChI=1S/C7H12N2S.ClH.Pt/c1-3-10-6-7-8-4-5-9(7)2;;/h4-5H,3,6H2,1-2H3;1H;/q;;+2/p-1
InChIKeyLDFRGPVMHGISDF-UHFFFAOYSA-M
XLogP-1.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-4-[(1-methylimidazol-2-yl)methylsulfanyl]butanoic acid
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(1-methylimidazol-2-yl)methyl N'-aminocarbamimidothioate
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N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
ethyl-[(1-methylimidazol-2-yl)methyl]azanium
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2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride?
The IUPAC name of 2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride (CID 11567222) is 2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride?
The canonical SMILES for 2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride is CCSCc1nccn1C.[Cl-].[Pt+2].
What is the InChIKey of 2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride?
The InChIKey is LDFRGPVMHGISDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N2S.ClH.Pt/c1-3-10-6-7-8-4-5-9(7)2;;/h4-5H,3,6H2,1-2H3;1H;/q;;+2/p-1.
What are the key properties of 2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride?
2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride has a molecular weight of 386.79 g/mol, XLogP of -1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride is sourced from PubChem (CID 11567222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).