Home > Compound List > Compound details
65016-55-9 molecular structure
click picture or here to close

3-decylthiophene

ChemBase ID: 140228
Molecular Formular: C14H24S
Molecular Mass: 224.40536
Monoisotopic Mass: 224.15987177
SMILES and InChIs

SMILES:
CCCCCCCCCCc1ccsc1
Canonical SMILES:
CCCCCCCCCCc1cscc1
InChI:
InChI=1S/C14H24S/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13H,2-10H2,1H3
InChIKey:
JAYBIBLZTQMCAY-UHFFFAOYSA-N

Cite this record

CBID:140228 http://www.chembase.cn/molecule-140228.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-decylthiophene
IUPAC Traditional name
3-decylthiophene
Synonyms
3-Decylthiophene
3-Decylthiophene
3-癸基噻吩
CAS Number
65016-55-9
MDL Number
MFCD00143180
PubChem SID
24869165
162234472
PubChem CID
566842

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 566842 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.268227  LogD (pH = 7.4) 6.268227 
Log P 6.268227  Molar Refractivity 69.614 cm3
Polarizability 27.33348 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
119-120 °C/1.2 mmHg(lit.) expand Show data source
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
Density
0.912 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.489(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C14H24S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 456357 external link
Application
Conducting polymer precursor.1
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle