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21298-53-3 molecular structure
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3-(thiophen-2-yl)pyridine

ChemBase ID: 302544
Molecular Formular: C9H7NS
Molecular Mass: 161.22358
Monoisotopic Mass: 161.02992023
SMILES and InChIs

SMILES:
c1cc(cnc1)c1cccs1
Canonical SMILES:
c1ccc(cn1)c1cccs1
InChI:
InChI=1S/C9H7NS/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7H
InChIKey:
ZHBLIWDUZHFSJW-UHFFFAOYSA-N

Cite this record

CBID:302544 http://www.chembase.cn/molecule-302544.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(thiophen-2-yl)pyridine
IUPAC Traditional name
3-(thiophen-2-yl)pyridine
Synonyms
2-(3-Pyridyl)thiophene
3-(2-Thienyl)pyridine
3-(2-噻吩基)吡啶
CAS Number
21298-53-3
EC Number
000-000-0
MDL Number
MFCD01860052
Beilstein Number
971159

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar L18538 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1479313  LogD (pH = 7.4) 2.1795251 
Log P 2.179947  Molar Refractivity 45.9272 cm3
Polarizability 19.071682 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
95-100°C/1mm expand Show data source
Refractive Index
1.6480 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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