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2-n-Propylthiophene

CAS No.:
1551-27-5
Catalog Number:
AG003HWW
Molecular Formula:
C7H10S
Molecular Weight:
126.2193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$47
- +
5g
98%
In Stock USA
United States
$84
- +
25g
98%
In Stock USA
United States
$304
- +
Product Description
Catalog Number:
AG003HWW
Chemical Name:
2-n-Propylthiophene
CAS Number:
1551-27-5
Molecular Formula:
C7H10S
Molecular Weight:
126.2193
MDL Number:
MFCD00014533
IUPAC Name:
2-propylthiophene
InChI:
InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3
InChI Key:
BTXIJTYYMLCUHI-UHFFFAOYSA-N
SMILES:
CCCc1cccs1
EC Number:
216-288-8
UNII:
Y6M897104J
NSC Number:
82326
Properties
Complexity:
61.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.05g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.217g/mol
Monoisotopic Mass:
126.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
[Determination and distribution of sulfur compounds in coked gasoline by gas chromatography-sulfur chemiluminescence detection]. Se pu = Chinese journal of chromatography 20070501
A computational investigation of the different intermediates during organoalkoxysilane hydrolysis. The journal of physical chemistry. B 20061207
A rational approach in the design of selective mesoporous adsorbents. Langmuir : the ACS journal of surfaces and colloids 20061107
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties