bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane

C20H44B2N6S — CID 15361369

IUPACbis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane
SMILESCCCCN1CCN(CCCC)B1N=S=NB1N(CCCC)CCN1CCCC
InChIInChI=1S/C20H44B2N6S/c1-5-9-13-25-17-18-26(14-10-6-2)21(25)23-29-24-22-27(15-11-7-3)19-20-28(22)16-12-8-4/h5-20H2,1-4H3
InChIKeyGDNVNYHBZHIKNP-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.84
Rot. Bonds14

About bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane

bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane (PubChem CID 15361369) has the molecular formula C20H44B2N6S and a molecular weight of 422.31 g/mol. Its IUPAC name is bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane.

Molecular Properties

Compound Namebis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane
PubChem CID15361369
Molecular FormulaC20H44B2N6S
Molecular Weight422.31 g/mol
Exact Mass422.35
IUPAC Namebis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane
SMILESCCCCN1CCN(CCCC)B1N=S=NB1N(CCCC)CCN1CCCC
InChIInChI=1S/C20H44B2N6S/c1-5-9-13-25-17-18-26(14-10-6-2)21(25)23-29-24-22-27(15-11-7-3)19-20-28(22)16-12-8-4/h5-20H2,1-4H3
InChIKeyGDNVNYHBZHIKNP-UHFFFAOYSA-N
XLogP3.84
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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1-butyl-2-methylpyrrolidine;hydrobromide
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1-octylaziridine
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Frequently Asked Questions

What is the IUPAC name of bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane?
The IUPAC name of bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane (CID 15361369) is bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane.
What is the SMILES notation for bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane?
The canonical SMILES for bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane is CCCCN1CCN(CCCC)B1N=S=NB1N(CCCC)CCN1CCCC.
What is the InChIKey of bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane?
The InChIKey is GDNVNYHBZHIKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44B2N6S/c1-5-9-13-25-17-18-26(14-10-6-2)21(25)23-29-24-22-27(15-11-7-3)19-20-28(22)16-12-8-4/h5-20H2,1-4H3.
What are the key properties of bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane?
bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane has a molecular weight of 422.31 g/mol, XLogP of 3.84, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1,3-dibutyl-1,3,2-diazaborolidin-2-yl)imino]-λ4-sulfane is sourced from PubChem (CID 15361369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).