Home Other Building Blocks 3-ethyl-[1,2]oxathiane 2,2-dioxide

3-ethyl-[1,2]oxathiane 2,2-dioxide

CAS No.:
4476-21-5
Catalog Number:
AG01EIRX
Molecular Formula:
C6H12O3S
Molecular Weight:
164.2227
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Product Description
Catalog Number:
AG01EIRX
Chemical Name:
3-ethyl-[1,2]oxathiane 2,2-dioxide
CAS Number:
4476-21-5
Molecular Formula:
C6H12O3S
Molecular Weight:
164.2227
MDL Number:
MFCD31736059
IUPAC Name:
3-ethyloxathiane 2,2-dioxide
InChI:
InChI=1S/C6H12O3S/c1-2-6-4-3-5-9-10(6,7)8/h6H,2-5H2,1H3
InChI Key:
DHPDUAMLNUJOTA-UHFFFAOYSA-N
SMILES:
CCC1CCCOS1(=O)=O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.051g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.219g/mol
Monoisotopic Mass:
164.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties