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27521-80-8 molecular structure
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2-(thiophen-2-yl)furan

ChemBase ID: 139399
Molecular Formular: C8H6OS
Molecular Mass: 150.19764
Monoisotopic Mass: 150.01393581
SMILES and InChIs

SMILES:
c1cc(oc1)c1cccs1
Canonical SMILES:
c1coc(c1)c1cccs1
InChI:
InChI=1S/C8H6OS/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
InChIKey:
RVYKTPRETIBSPK-UHFFFAOYSA-N

Cite this record

CBID:139399 http://www.chembase.cn/molecule-139399.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(thiophen-2-yl)furan
IUPAC Traditional name
2-(thiophen-2-yl)furan
Synonyms
2-(2-Thienyl)furan
2-(2-噻吩基)呋喃
CAS Number
27521-80-8
MDL Number
MFCD05664273
PubChem SID
24881298
162233647
PubChem CID
526176

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
590770 external link Add to cart Please log in.
Data Source Data ID
PubChem 526176 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.457866  LogD (pH = 7.4) 2.457866 
Log P 2.457866  Molar Refractivity 40.475 cm3
Polarizability 16.814035 Å3 Polar Surface Area 13.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
209 °C(lit.) expand Show data source
Flash Point
197.6 °F expand Show data source
92 °C expand Show data source
Density
1.192 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.6210(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C8H6OS expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 590770 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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