molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid

C10H13BO2S — CID 159563818

IUPACmolecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid
SMILESOB(O)c1ccc(-c2cccs2)cc1.[H][H].[H][H]
InChIInChI=1S/C10H9BO2S.2H2/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10;;/h1-7,12-13H;2*1H
InChIKeyMGYMRJUJZJYFSW-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.59
Rot. Bonds2

About molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid

molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid (PubChem CID 159563818) has the molecular formula C10H13BO2S and a molecular weight of 208.09 g/mol. Its IUPAC name is molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid.

Molecular Properties

Compound Namemolecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid
PubChem CID159563818
Molecular FormulaC10H13BO2S
Molecular Weight208.09 g/mol
Exact Mass208.07
IUPAC Namemolecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid
SMILESOB(O)c1ccc(-c2cccs2)cc1.[H][H].[H][H]
InChIInChI=1S/C10H9BO2S.2H2/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10;;/h1-7,12-13H;2*1H
InChIKeyMGYMRJUJZJYFSW-UHFFFAOYSA-N
XLogP1.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid?
The IUPAC name of molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid (CID 159563818) is molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid.
What is the SMILES notation for molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid?
The canonical SMILES for molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid is OB(O)c1ccc(-c2cccs2)cc1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid?
The InChIKey is MGYMRJUJZJYFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BO2S.2H2/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10;;/h1-7,12-13H;2*1H.
What are the key properties of molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid?
molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid has a molecular weight of 208.09 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid is sourced from PubChem (CID 159563818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).