1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol

C26H30S5 — CID 151621769

IUPAC1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol
SMILESSCCSCCSCCSCC(S)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C26H30S5/c27-13-14-29-15-16-30-17-18-31-19-26(28,24-11-9-20-5-1-3-7-22(20)24)25-12-10-21-6-2-4-8-23(21)25/h1-12,24-25,27-28H,13-19H2
InChIKeyQOQVCEZDELFFMZ-UHFFFAOYSA-N
MW502.86 g/mol
LogP7.41
Rot. Bonds12

About 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol

1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol (PubChem CID 151621769) has the molecular formula C26H30S5 and a molecular weight of 502.86 g/mol. Its IUPAC name is 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol.

Molecular Properties

Compound Name1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol
PubChem CID151621769
Molecular FormulaC26H30S5
Molecular Weight502.86 g/mol
Exact Mass502.10
IUPAC Name1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol
SMILESSCCSCCSCCSCC(S)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C26H30S5/c27-13-14-29-15-16-30-17-18-31-19-26(28,24-11-9-20-5-1-3-7-22(20)24)25-12-10-21-6-2-4-8-23(21)25/h1-12,24-25,27-28H,13-19H2
InChIKeyQOQVCEZDELFFMZ-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.86
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol with MolForge

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Related Compounds

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[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane
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CID 141131731

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol?
The IUPAC name of 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol (CID 151621769) is 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol.
What is the SMILES notation for 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol?
The canonical SMILES for 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol is SCCSCCSCCSCC(S)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol?
The InChIKey is QOQVCEZDELFFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30S5/c27-13-14-29-15-16-30-17-18-31-19-26(28,24-11-9-20-5-1-3-7-22(20)24)25-12-10-21-6-2-4-8-23(21)25/h1-12,24-25,27-28H,13-19H2.
What are the key properties of 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol?
1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol has a molecular weight of 502.86 g/mol, XLogP of 7.41, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1H-inden-1-yl)-2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanethiol is sourced from PubChem (CID 151621769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).