[5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid

C7H9BO4S — CID 119086872

IUPAC[5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid
SMILESOB(O)c1ccc(C2OCCO2)s1
InChIInChI=1S/C7H9BO4S/c9-8(10)6-2-1-5(13-6)7-11-3-4-12-7/h1-2,7,9-10H,3-4H2
InChIKeyMKIVDIXRVUKTKU-UHFFFAOYSA-N
MW200.02 g/mol
LogP-0.53
Rot. Bonds2

About [5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid

[5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid (PubChem CID 119086872) has the molecular formula C7H9BO4S and a molecular weight of 200.02 g/mol. Its IUPAC name is [5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid.

Molecular Properties

Compound Name[5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid
PubChem CID119086872
Molecular FormulaC7H9BO4S
Molecular Weight200.02 g/mol
Exact Mass200.03
IUPAC Name[5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid
SMILESOB(O)c1ccc(C2OCCO2)s1
InChIInChI=1S/C7H9BO4S/c9-8(10)6-2-1-5(13-6)7-11-3-4-12-7/h1-2,7,9-10H,3-4H2
InChIKeyMKIVDIXRVUKTKU-UHFFFAOYSA-N
XLogP-0.53
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid?
The IUPAC name of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid (CID 119086872) is [5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid.
What is the SMILES notation for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid?
The canonical SMILES for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid is OB(O)c1ccc(C2OCCO2)s1.
What is the InChIKey of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid?
The InChIKey is MKIVDIXRVUKTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO4S/c9-8(10)6-2-1-5(13-6)7-11-3-4-12-7/h1-2,7,9-10H,3-4H2.
What are the key properties of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid?
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid has a molecular weight of 200.02 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid is sourced from PubChem (CID 119086872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).