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Home > Pyridines > 262267-34-5
262267-34-5 | Benzenecarbothioic acid, 4-[2-(trimethylsilyl)ethynyl]-, S-2-pyridinyl ester
CAS No: 262267-34-5 Catalog No: AG002SBR MDL No:
Product Description
Catalog Number:
AG002SBR
Chemical Name:
Benzenecarbothioic acid, 4-[2-(trimethylsilyl)ethynyl]-, S-2-pyridinyl ester
CAS Number:
262267-34-5
Molecular Formula:
C17H17NOSSi
Molecular Weight:
311.4735
IUPAC Name:
S-pyridin-2-yl 4-(2-trimethylsilylethynyl)benzenecarbothioate
InChI:
InChI=1S/C17H17NOSSi/c1-21(2,3)13-11-14-7-9-15(10-8-14)17(19)20-16-6-4-5-12-18-16/h4-10,12H,1-3H3
InChI Key:
LGQVKAFFEQCRCZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C#C[Si](C)(C)C)Sc1ccccn1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.474g/mol
Monoisotopic Mass:
311.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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