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115691-17-3 | 2H-Thiopyran, 3,6-dihydro-2-phenyl-, 1,1-dioxide
CAS No: 115691-17-3 Catalog No: AG000GR5 MDL No:
Product Description
Catalog Number:
AG000GR5
Chemical Name:
2H-Thiopyran, 3,6-dihydro-2-phenyl-, 1,1-dioxide
CAS Number:
115691-17-3
Molecular Formula:
C11H12O2S
Molecular Weight:
208.2768
IUPAC Name:
2-phenyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
InChI:
InChI=1S/C11H12O2S/c12-14(13)9-5-4-8-11(14)10-6-2-1-3-7-10/h1-7,11H,8-9H2
InChI Key:
OBTLJHVYWIWUKC-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC=CCC1c1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.275g/mol
Monoisotopic Mass:
208.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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