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34722-01-5,MFCD00143179
Catalog No.:AA003J2X
34722-01-5 | 3-Butylthiophene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$43.00   $30.00
- +
5g
95%
in stock  
$84.00   $59.00
- +
10g
95%
in stock  
$127.00   $89.00
- +
25g
95%
in stock  
$228.00   $160.00
- +
100g
95%
in stock  
$806.00   $564.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J2X
Chemical Name:
3-Butylthiophene
CAS Number:
34722-01-5
Molecular Formula:
C8H12S
Molecular Weight:
140.2459
MDL Number:
MFCD00143179
IUPAC Name:
3-butylthiophene
InChI:
InChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3
InChI Key:
KPOCSQCZXMATFR-UHFFFAOYSA-N
SMILES:
CCCCc1cscc1
Properties
Computed Properties
 
Complexity:
71  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.066g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.244g/mol
Monoisotopic Mass:
140.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
3-Butylthiophene 
34722-01-5 
AC1LBY6P 
3-Butylthiophene, 96% 
AC1Q7FZ1 
SCHEMBL78886 
KSC147O1D 
BIDD:GT0510 
KPOCSQCZXMATFR-UHFFFAOYSA- 
KS-00000KJF 
DTXSID20340657 
ZINC2512476 
3-n-Butylthiophene 
ANW-27955 
MFCD00143179 
AKOS004909493 
AC-4930 
CB-2135 
FCH1114947 
RP09829 
RTR-033087 
TRA0066169 
VT20209 
Thiophene, 3-butyl 
AJ-36667 
AK-88745 
AN-11473 
AS-19033 
SC-45261 
AX8033325 
DB-050481 
ST2405002 
TR-033087 
4CH-018301 
Thiophene, 3-butyl- 
FT-0708013 
X4143 
A822369 
I09-1639 
J-512154 
InChI=1/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3 
C8H12S 
ACN-S005239 
AR-1F2394 
CID566339 
KPOCSQCZXMATFR-UHFFFAOYSA-N 
ZINC02512476 
3-n-Butylthiophene, 98% - 1G 1g 
ACN-031868 
B1458 
349-20-2 
3-Butyl-thiophen 
3-butyl thiophene 
3-Butyl-thiophene 
ACMC-1AIHG 
Literature

Title: Light-emitting color barcode nanowires using polymers: nanoscale optical characteristics.

Journal: ACS nano 20100928

Title: Molecular modeling of crystalline alkylthiophene oligomers and polymers.

Journal: The journal of physical chemistry. B 20100204

Title: Conducting polymer nanostructures: template synthesis and applications in energy storage.

Journal: International journal of molecular sciences 20100101

Title: Constructing thin polythiophene film composed of aligned lamellae via controlled solvent vapor treatment.

Journal: Langmuir : the ACS journal of surfaces and colloids 20090409

Title: Dynamic structure of regioregulated poly(alkylthiophene)s.

Journal: The journal of physical chemistry. B 20080918

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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