2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H17BO3S — CID 66520196

IUPAC2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(-c3ccco3)cs2)OC1(C)C
InChIInChI=1S/C14H17BO3S/c1-13(2)14(3,4)18-15(17-13)12-8-10(9-19-12)11-6-5-7-16-11/h5-9H,1-4H3
InChIKeySZTNMGWVXZKSIB-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.31
Rot. Bonds2

About 2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 66520196) has the molecular formula C14H17BO3S and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID66520196
Molecular FormulaC14H17BO3S
Molecular Weight276.17 g/mol
Exact Mass276.10
IUPAC Name2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(-c3ccco3)cs2)OC1(C)C
InChIInChI=1S/C14H17BO3S/c1-13(2)14(3,4)18-15(17-13)12-8-10(9-19-12)11-6-5-7-16-11/h5-9H,1-4H3
InChIKeySZTNMGWVXZKSIB-UHFFFAOYSA-N
XLogP3.31
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane
CID 66520195
4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
CID 56973254
2-[3-(furan-2-yl)-4-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168525416
2-[2-(furan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 18525792
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
2-(furan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 168528018
2-(4-chloro-3,5-dimethylphenyl)furan
CID 168527809
N-[4-(furan-2-yl)-2-methylphenyl]thiophene-2-carboxamide
CID 168526286
4,4,5,5-tetramethyl-2-(4-pentylthiophen-2-yl)-1,3,2-dioxaborolane
CID 67952902
5-(furan-2-yl)-N,2-dimethylaniline
CID 68654005
3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine
CID 171110895
ethane;2-(furan-2-yl)furan
CID 161366084

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 66520196) is 2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cc(-c3ccco3)cs2)OC1(C)C.
What is the InChIKey of 2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SZTNMGWVXZKSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BO3S/c1-13(2)14(3,4)18-15(17-13)12-8-10(9-19-12)11-6-5-7-16-11/h5-9H,1-4H3.
What are the key properties of 2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 276.17 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 66520196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).