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868755-64-0 molecular structure
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5-(furan-2-yl)thiophene-2-carbaldehyde

ChemBase ID: 92856
Molecular Formular: C9H6O2S
Molecular Mass: 178.20774
Monoisotopic Mass: 178.00885043
SMILES and InChIs

SMILES:
s1c(ccc1c1ccco1)C=O
Canonical SMILES:
O=Cc1ccc(s1)c1ccco1
InChI:
InChI=1S/C9H6O2S/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H
InChIKey:
IXUVFAGSDDBEKJ-UHFFFAOYSA-N

Cite this record

CBID:92856 http://www.chembase.cn/molecule-92856.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(furan-2-yl)thiophene-2-carbaldehyde
IUPAC Traditional name
5-(furan-2-yl)thiophene-2-carbaldehyde
Synonyms
5-(2-furyl)thiophene-2-carbaldehyde
5-(Fur-2-yl)thiophene-2-carboxaldehyde 97%
CAS Number
868755-64-0
MDL Number
MFCD06410178
PubChem SID
162079554
PubChem CID
23004862

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23004862 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3028076  LogD (pH = 7.4) 2.3028076 
Log P 2.3028076  Molar Refractivity 46.8431 cm3
Polarizability 18.721453 Å3 Polar Surface Area 30.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
40-41.5°C expand Show data source
Storage Warning
Irritant expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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