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Home Sulfos 2-(2-Thienyl)ethyl 4-methylbenzenesulfonate

2-(2-Thienyl)ethyl 4-methylbenzenesulfonate

CAS No.:
40412-06-4
Catalog Number:
AG003F50
Molecular Formula:
C13H14O3S2
Molecular Weight:
282.3785
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$73
- +
5g
98%(GC)
In Stock USA
United States
$166
- +
25g
98%(GC)
In Stock USA
United States
$535
- +
Product Description
Catalog Number:
AG003F50
Chemical Name:
2-(2-Thienyl)ethyl 4-methylbenzenesulfonate
CAS Number:
40412-06-4
Molecular Formula:
C13H14O3S2
Molecular Weight:
282.3785
MDL Number:
MFCD05150366
IUPAC Name:
2-thiophen-2-ylethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H14O3S2/c1-11-4-6-13(7-5-11)18(14,15)16-9-8-12-3-2-10-17-12/h2-7,10H,8-9H2,1H3
InChI Key:
HLPRKWVEMYDPAU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCc1cccs1
EC Number:
254-911-5
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.038g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.372g/mol
Monoisotopic Mass:
282.038g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
2-(Thio-phen-2-yl)ethyl 4-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20110701
Properties