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89791-49-1 | Thiophene, 3-ethyltetrahydro-, 1,1-dioxide
CAS No: 89791-49-1 Catalog No: AG003ZDX MDL No:
Product Description
Catalog Number:
AG003ZDX
Chemical Name:
Thiophene, 3-ethyltetrahydro-, 1,1-dioxide
CAS Number:
89791-49-1
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
IUPAC Name:
3-ethylthiolane 1,1-dioxide
InChI:
InChI=1S/C6H12O2S/c1-2-6-3-4-9(7,8)5-6/h6H,2-5H2,1H3
InChI Key:
SOZYDBBOFTUUPT-UHFFFAOYSA-N
SMILES:
CCC1CCS(=O)(=O)C1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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