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1310384-98-5 molecular structure
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2-(3-methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

ChemBase ID: 142840
Molecular Formular: C11H17BO3S
Molecular Mass: 240.12688
Monoisotopic Mass: 240.0991458
SMILES and InChIs

SMILES:
B1(OC(C(O1)(C)C)(C)C)c1c(ccs1)OC
Canonical SMILES:
COc1ccsc1B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)9-8(13-5)6-7-16-9/h6-7H,1-5H3
InChIKey:
FXKKXDGOIQJEJS-UHFFFAOYSA-N

Cite this record

CBID:142840 http://www.chembase.cn/molecule-142840.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Traditional name
2-(3-methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Synonyms
4,4,5,5-Tetramethyl-2-(3-methoxy-2-thienyl)-1,3,2-dioxaborolane
3-Methoxythiophene-2-boronic acid pinacol ester
3-甲氧基噻吩-2-硼酸频哪醇酯
CAS Number
1310384-98-5
MDL Number
MFCD09837621
PubChem SID
162237066
PubChem CID
45588124

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
709875 external link Add to cart Please log in.
Data Source Data ID
PubChem 45588124 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2416  LogD (pH = 7.4) 3.2416 
Log P 3.2416  Molar Refractivity 58.442 cm3
Polarizability 25.189693 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
124-128 °C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C11H17BO3S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 709875 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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