borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane

C10H28B2S2 — CID 2733083

IUPACborane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane
SMILESB.B.CC(C)(C)SCCSC(C)(C)C
InChIInChI=1S/C10H22S2.2BH3/c1-9(2,3)11-7-8-12-10(4,5)6;;/h7-8H2,1-6H3;2*1H3
InChIKeyJZOSBTIOAVXEBU-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.68
Rot. Bonds3

About borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane

borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane (PubChem CID 2733083) has the molecular formula C10H28B2S2 and a molecular weight of 234.09 g/mol. Its IUPAC name is borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Nameborane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane
PubChem CID2733083
Molecular FormulaC10H28B2S2
Molecular Weight234.09 g/mol
Exact Mass234.18
IUPAC Nameborane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane
SMILESB.B.CC(C)(C)SCCSC(C)(C)C
InChIInChI=1S/C10H22S2.2BH3/c1-9(2,3)11-7-8-12-10(4,5)6;;/h7-8H2,1-6H3;2*1H3
InChIKeyJZOSBTIOAVXEBU-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane?
The IUPAC name of borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane (CID 2733083) is borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane.
What is the SMILES notation for borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane?
The canonical SMILES for borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane is B.B.CC(C)(C)SCCSC(C)(C)C.
What is the InChIKey of borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane?
The InChIKey is JZOSBTIOAVXEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S2.2BH3/c1-9(2,3)11-7-8-12-10(4,5)6;;/h7-8H2,1-6H3;2*1H3.
What are the key properties of borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane?
borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane has a molecular weight of 234.09 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane is sourced from PubChem (CID 2733083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).