(5-methoxycarbonylthiophen-2-yl)boronic acid

C6H7BO4S — CID 11600797

IUPAC(5-methoxycarbonylthiophen-2-yl)boronic acid
SMILESCOC(=O)c1ccc(B(O)O)s1
InChIInChI=1S/C6H7BO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3,9-10H,1H3
InChIKeyVJWFTDBWRPSNFS-UHFFFAOYSA-N
MW186.00 g/mol
LogP-0.79
Rot. Bonds2

About (5-methoxycarbonylthiophen-2-yl)boronic acid

(5-methoxycarbonylthiophen-2-yl)boronic acid (PubChem CID 11600797) has the molecular formula C6H7BO4S and a molecular weight of 186.00 g/mol. Its IUPAC name is (5-methoxycarbonylthiophen-2-yl)boronic acid.

Molecular Properties

Compound Name(5-methoxycarbonylthiophen-2-yl)boronic acid
PubChem CID11600797
Molecular FormulaC6H7BO4S
Molecular Weight186.00 g/mol
Exact Mass186.02
IUPAC Name(5-methoxycarbonylthiophen-2-yl)boronic acid
SMILESCOC(=O)c1ccc(B(O)O)s1
InChIInChI=1S/C6H7BO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3,9-10H,1H3
InChIKeyVJWFTDBWRPSNFS-UHFFFAOYSA-N
XLogP-0.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.00
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-methoxycarbonylthiophen-2-yl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl thenoate
CID 79340
Ethyl 2-thenoate
CID 76052
2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester
CID 598246
5-(Methoxycarbonyl)thiophene-2-carboxylic acid
CID 818352
Methyl 3-bromothiophene-2-carboxylate
CID 2740074
2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester
CID 2736733
5-Boronothiophene-2-carboxylic acid
CID 2779807
Methyl 3-methylthiophene-2-carboxylate
CID 580757
Methyl 5-chlorothiophene-2-carboxylate
CID 589473
Methyl 5-bromothiophene-2-carboxylate
CID 605713
Ethyl 5-bromothiophene-2-carboxylate
CID 605723
Methyl 4-methylthiophene-2-carboxylate
CID 2777593

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylthiophen-2-yl)boronic acid?
The IUPAC name of (5-methoxycarbonylthiophen-2-yl)boronic acid (CID 11600797) is (5-methoxycarbonylthiophen-2-yl)boronic acid.
What is the SMILES notation for (5-methoxycarbonylthiophen-2-yl)boronic acid?
The canonical SMILES for (5-methoxycarbonylthiophen-2-yl)boronic acid is COC(=O)c1ccc(B(O)O)s1.
What is the InChIKey of (5-methoxycarbonylthiophen-2-yl)boronic acid?
The InChIKey is VJWFTDBWRPSNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3,9-10H,1H3.
What are the key properties of (5-methoxycarbonylthiophen-2-yl)boronic acid?
(5-methoxycarbonylthiophen-2-yl)boronic acid has a molecular weight of 186.00 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylthiophen-2-yl)boronic acid is sourced from PubChem (CID 11600797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).