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

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

CAS No.:
20462-00-4
Catalog Number:
AG0029LU
Molecular Formula:
C7H12O2S2
Molecular Weight:
192.2990
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$81
- +
5g
>98.0%(GC)
1 week
United States
$162
- +
Product Description
Catalog Number:
AG0029LU
Chemical Name:
1,3-Dithiane-2-carboxylic acid, ethyl ester
CAS Number:
20462-00-4
Molecular Formula:
C7H12O2S2
Molecular Weight:
192.2990
MDL Number:
MFCD00006657
IUPAC Name:
ethyl 1,3-dithiane-2-carboxylate
InChI:
InChI=1S/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3
InChI Key:
ANEDZEVDORCLPM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1SCCCS1
EC Number:
243-838-4
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.028g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.291g/mol
Monoisotopic Mass:
192.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties