Home Carboxys 1,3-Dithiolane-2-carboxylic acid, ethyl ester

1,3-Dithiolane-2-carboxylic acid, ethyl ester

CAS No.:
20461-99-8
Catalog Number:
AG0029LV
Molecular Formula:
C6H10O2S2
Molecular Weight:
178.2724
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>97.0%(GC)
1 week
United States
$121
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Product Description
Catalog Number:
AG0029LV
Chemical Name:
1,3-Dithiolane-2-carboxylic acid, ethyl ester
CAS Number:
20461-99-8
Molecular Formula:
C6H10O2S2
Molecular Weight:
178.2724
MDL Number:
MFCD00005411
IUPAC Name:
ethyl 1,3-dithiolane-2-carboxylate
InChI:
InChI=1S/C6H10O2S2/c1-2-8-5(7)6-9-3-4-10-6/h6H,2-4H2,1H3
InChI Key:
OMCSHTHLIQOHDD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1SCCS1
EC Number:
243-837-9
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.012g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.264g/mol
Monoisotopic Mass:
178.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
General strategy for the syntheses of corynanthe, tacaman, and oxindole alkaloids. The Journal of organic chemistry 20060818
Properties