sodium tetra(thiophen-3-yl)boranuide

C16H12BNaS4 — CID 139966772

IUPACsodium tetra(thiophen-3-yl)boranuide
SMILES[Na+].c1cc([B-](c2ccsc2)(c2ccsc2)c2ccsc2)cs1
InChIInChI=1S/C16H12BS4.Na/c1-5-18-9-13(1)17(14-2-6-19-10-14,15-3-7-20-11-15)16-4-8-21-12-16;/h1-12H;/q-1;+1
InChIKeyILKLSFKKPFWCMH-UHFFFAOYSA-N
MW366.34 g/mol
LogP0.31
Rot. Bonds4

About sodium tetra(thiophen-3-yl)boranuide

sodium tetra(thiophen-3-yl)boranuide (PubChem CID 139966772) has the molecular formula C16H12BNaS4 and a molecular weight of 366.34 g/mol. Its IUPAC name is sodium tetra(thiophen-3-yl)boranuide.

Molecular Properties

Compound Namesodium tetra(thiophen-3-yl)boranuide
PubChem CID139966772
Molecular FormulaC16H12BNaS4
Molecular Weight366.34 g/mol
Exact Mass365.98
IUPAC Namesodium tetra(thiophen-3-yl)boranuide
SMILES[Na+].c1cc([B-](c2ccsc2)(c2ccsc2)c2ccsc2)cs1
InChIInChI=1S/C16H12BS4.Na/c1-5-18-9-13(1)17(14-2-6-19-10-14,15-3-7-20-11-15)16-4-8-21-12-16;/h1-12H;/q-1;+1
InChIKeyILKLSFKKPFWCMH-UHFFFAOYSA-N
XLogP0.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium tetra(thiophen-3-yl)boranuide?
The IUPAC name of sodium tetra(thiophen-3-yl)boranuide (CID 139966772) is sodium tetra(thiophen-3-yl)boranuide.
What is the SMILES notation for sodium tetra(thiophen-3-yl)boranuide?
The canonical SMILES for sodium tetra(thiophen-3-yl)boranuide is [Na+].c1cc([B-](c2ccsc2)(c2ccsc2)c2ccsc2)cs1.
What is the InChIKey of sodium tetra(thiophen-3-yl)boranuide?
The InChIKey is ILKLSFKKPFWCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BS4.Na/c1-5-18-9-13(1)17(14-2-6-19-10-14,15-3-7-20-11-15)16-4-8-21-12-16;/h1-12H;/q-1;+1.
What are the key properties of sodium tetra(thiophen-3-yl)boranuide?
sodium tetra(thiophen-3-yl)boranuide has a molecular weight of 366.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tetra(thiophen-3-yl)boranuide is sourced from PubChem (CID 139966772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).