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127486-98-0 | Benzo[b]thiophen-5(4H)-one, 2,3,3a,7a-tetrahydro-3-[[tris(1-methylethyl)silyl]oxy]-, 1,1-dioxide, (3R,3aS,7aS)-rel-
CAS No: 127486-98-0 Catalog No: AG000X3X MDL No:
Product Description
Catalog Number:
AG000X3X
Chemical Name:
Benzo[b]thiophen-5(4H)-one, 2,3,3a,7a-tetrahydro-3-[[tris(1-methylethyl)silyl]oxy]-, 1,1-dioxide, (3R,3aS,7aS)-rel-
CAS Number:
127486-98-0
Molecular Formula:
C17H30O4SSi
Molecular Weight:
358.5682
IUPAC Name:
(3R,3aS,7aS)-1,1-dioxo-3-tri(propan-2-yl)silyloxy-3,3a,4,7a-tetrahydro-2H-1-benzothiophen-5-one
InChI:
InChI=1S/C17H30O4SSi/c1-11(2)23(12(3)4,13(5)6)21-16-10-22(19,20)17-8-7-14(18)9-15(16)17/h7-8,11-13,15-17H,9-10H2,1-6H3/t15-,16-,17-/m0/s1
InChI Key:
SRBPDRXRCOFPFO-ULQDDVLXSA-N
SMILES:
CC([Si](C(C)C)(C(C)C)O[C@H]1CS(=O)(=O)[C@@H]2[C@H]1CC(=O)C=C2)C
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
358.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.568g/mol
Monoisotopic Mass:
358.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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