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7342-41-8 molecular structure
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5-[5-(thiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde

ChemBase ID: 86118
Molecular Formular: C13H8OS3
Molecular Mass: 276.39702
Monoisotopic Mass: 275.97372788
SMILES and InChIs

SMILES:
s1c(ccc1c1cccs1)c1ccc(s1)C=O
Canonical SMILES:
O=Cc1ccc(s1)c1ccc(s1)c1cccs1
InChI:
InChI=1S/C13H8OS3/c14-8-9-3-4-12(16-9)13-6-5-11(17-13)10-2-1-7-15-10/h1-8H
InChIKey:
PMPDDPJYARBNGV-UHFFFAOYSA-N

Cite this record

CBID:86118 http://www.chembase.cn/molecule-86118.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[5-(thiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde
IUPAC Traditional name
5-[5-(thiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde
Synonyms
5-[5-(2-thienyl)-2-thienyl]thiophene-2-carboxaldehyde
5-[5-(2-thienyl)-2-thienyl]thiophene-2-carbaldehyde
CAS Number
7342-41-8
MDL Number
MFCD00115181
PubChem SID
162073234
PubChem CID
454742

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 454742 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4407887  LogD (pH = 7.4) 4.4407887 
Log P 4.4407887  Molar Refractivity 73.1523 cm3
Polarizability 30.130917 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
TECH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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