bis(phenylsulfanyl)-propan-2-ylalumane

C15H17AlS2 — CID 140617828

IUPACbis(phenylsulfanyl)-propan-2-ylalumane
SMILESCC(C)[Al](Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/2C6H6S.C3H7.Al/c2*7-6-4-2-1-3-5-6;1-3-2;/h2*1-5,7H;3H,1-2H3;/q;;;+2/p-2
InChIKeyUOXBDQQMGNUXBB-UHFFFAOYSA-L
MW288.42 g/mol
LogP5.47
Rot. Bonds5

About bis(phenylsulfanyl)-propan-2-ylalumane

bis(phenylsulfanyl)-propan-2-ylalumane (PubChem CID 140617828) has the molecular formula C15H17AlS2 and a molecular weight of 288.42 g/mol. Its IUPAC name is bis(phenylsulfanyl)-propan-2-ylalumane.

Molecular Properties

Compound Namebis(phenylsulfanyl)-propan-2-ylalumane
PubChem CID140617828
Molecular FormulaC15H17AlS2
Molecular Weight288.42 g/mol
Exact Mass288.06
IUPAC Namebis(phenylsulfanyl)-propan-2-ylalumane
SMILESCC(C)[Al](Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/2C6H6S.C3H7.Al/c2*7-6-4-2-1-3-5-6;1-3-2;/h2*1-5,7H;3H,1-2H3;/q;;;+2/p-2
InChIKeyUOXBDQQMGNUXBB-UHFFFAOYSA-L
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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selanylsulfanylbenzene
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[(2S)-butan-2-yl]sulfanylbenzene
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1-fluoropropan-2-ylsulfanylbenzene
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hydrogen peroxide;methylsulfanylbenzene
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2-phenylsulfanylpropanenitrile
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4-methyl-1-phenylsulfanylpentan-2-amine
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[1,2-bis(methylsulfanyl)-1,2,2-tris(phenylsulfanyl)ethyl]sulfanylbenzene
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methoxy-methyl-diphenylphosphanium
CID 23415298
CID 136778014
CID 136778014
methoxymethane;phenylsulfanylbenzene
CID 175087336

Frequently Asked Questions

What is the IUPAC name of bis(phenylsulfanyl)-propan-2-ylalumane?
The IUPAC name of bis(phenylsulfanyl)-propan-2-ylalumane (CID 140617828) is bis(phenylsulfanyl)-propan-2-ylalumane.
What is the SMILES notation for bis(phenylsulfanyl)-propan-2-ylalumane?
The canonical SMILES for bis(phenylsulfanyl)-propan-2-ylalumane is CC(C)[Al](Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of bis(phenylsulfanyl)-propan-2-ylalumane?
The InChIKey is UOXBDQQMGNUXBB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6S.C3H7.Al/c2*7-6-4-2-1-3-5-6;1-3-2;/h2*1-5,7H;3H,1-2H3;/q;;;+2/p-2.
What are the key properties of bis(phenylsulfanyl)-propan-2-ylalumane?
bis(phenylsulfanyl)-propan-2-ylalumane has a molecular weight of 288.42 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylsulfanyl)-propan-2-ylalumane is sourced from PubChem (CID 140617828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).