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91539-87-6 | 1H-Indole, 2-[[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-butynyl]thio]-
CAS No: 91539-87-6 Catalog No: AG006L6N MDL No:
Product Description
Catalog Number:
AG006L6N
Chemical Name:
1H-Indole, 2-[[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-butynyl]thio]-
CAS Number:
91539-87-6
Molecular Formula:
C18H25NOSSi
Molecular Weight:
331.5477
IUPAC Name:
tert-butyl-[4-(1H-indol-2-ylsulfanyl)but-2-ynoxy]-dimethylsilane
InChI:
InChI=1S/C18H25NOSSi/c1-18(2,3)22(4,5)20-12-8-9-13-21-17-14-15-10-6-7-11-16(15)19-17/h6-7,10-11,14,19H,12-13H2,1-5H3
InChI Key:
CCLPAMHNSDJCBF-UHFFFAOYSA-N
SMILES:
C[Si](C(C)(C)C)(OCC#CCSc1cc2c([nH]1)cccc2)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.549g/mol
Monoisotopic Mass:
331.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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