4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane

C14H17BO2S2 — CID 66520195

IUPAC4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(-c3cccs3)cs2)OC1(C)C
InChIInChI=1S/C14H17BO2S2/c1-13(2)14(3,4)17-15(16-13)12-8-10(9-19-12)11-6-5-7-18-11/h5-9H,1-4H3
InChIKeyCHFRXYPYNLSQPJ-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.78
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane (PubChem CID 66520195) has the molecular formula C14H17BO2S2 and a molecular weight of 292.23 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane
PubChem CID66520195
Molecular FormulaC14H17BO2S2
Molecular Weight292.23 g/mol
Exact Mass292.08
IUPAC Name4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(-c3cccs3)cs2)OC1(C)C
InChIInChI=1S/C14H17BO2S2/c1-13(2)14(3,4)17-15(16-13)12-8-10(9-19-12)11-6-5-7-18-11/h5-9H,1-4H3
InChIKeyCHFRXYPYNLSQPJ-UHFFFAOYSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 53.78
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

2-[4-(furan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66520196
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
methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-thiophen-2-ylbenzoate
CID 171646387
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophen-2-yl-1H-imidazole
CID 172644189
4-thiophen-2-ylthiophen-2-ol
CID 154302711
4-ethyl-4,5,5-trimethyl-2-thiophen-2-yl-1,3,2-dioxaborolane
CID 144686550
ethane;2-methyl-4-thiophen-2-ylaniline
CID 143928116
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2-(9,9-dioctyl-7-thiophen-2-ylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11556185
4,4,5,5-tetramethyl-2-(4-pentylthiophen-2-yl)-1,3,2-dioxaborolane
CID 67952902
ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen
CID 143928123
1-hydroxy-6-thiophen-2-yl-3H-2,1-benzoxaborole
CID 174580764

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane (CID 66520195) is 4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2cc(-c3cccs3)cs2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane?
The InChIKey is CHFRXYPYNLSQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BO2S2/c1-13(2)14(3,4)17-15(16-13)12-8-10(9-19-12)11-6-5-7-18-11/h5-9H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane has a molecular weight of 292.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(4-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 66520195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).