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101043-44-1 | Thiophene, 2-ethyl-, 1,1-dioxide
CAS No: 101043-44-1 Catalog No: AG0003M7 MDL No:
Product Description
Catalog Number:
AG0003M7
Chemical Name:
Thiophene, 2-ethyl-, 1,1-dioxide
CAS Number:
101043-44-1
Molecular Formula:
C6H8O2S
Molecular Weight:
144.1915
IUPAC Name:
2-ethylthiophene 1,1-dioxide
InChI:
InChI=1S/C6H8O2S/c1-2-6-4-3-5-9(6,7)8/h3-5H,2H2,1H3
InChI Key:
JVIWTQDFTQIMIZ-UHFFFAOYSA-N
SMILES:
CCC1=CC=CS1(=O)=O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.188g/mol
Monoisotopic Mass:
144.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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