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880885-76-7 | Benzothiazole, 2-[[3-(trimethylsilyl)-2-propynyl]sulfonyl]-
CAS No: 880885-76-7 Catalog No: AG004K0O MDL No:
Product Description
Catalog Number:
AG004K0O
Chemical Name:
Benzothiazole, 2-[[3-(trimethylsilyl)-2-propynyl]sulfonyl]-
CAS Number:
880885-76-7
Molecular Formula:
C13H15NO2S2Si
Molecular Weight:
309.4792
IUPAC Name:
3-(1,3-benzothiazol-2-ylsulfonyl)prop-1-ynyl-trimethylsilane
InChI:
InChI=1S/C13H15NO2S2Si/c1-19(2,3)10-6-9-18(15,16)13-14-11-7-4-5-8-12(11)17-13/h4-5,7-8H,9H2,1-3H3
InChI Key:
UOWZUZXXZYGECP-UHFFFAOYSA-N
SMILES:
C[Si](C#CCS(=O)(=O)c1nc2c(s1)cccc2)(C)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.473g/mol
Monoisotopic Mass:
309.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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