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Home> Encyclopedia >   /  Others  /  Pharmaceutical Intermediates  /  Organic Intermediate
butyl-(1,3-dithian-2-ylmethyl)-dimethylsilane structure
butyl-(1,3-dithian-2-ylmethyl)-dimethylsilane structure

butyl-(1,3-dithian-2-ylmethyl)-dimethylsilane

Iupac Name:N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CAS No.:1142943-96-1
Molecular Weight:281.113
1. Names and Identifiers
1.1 Name
butyl-(1,3-dithian-2-ylmethyl)-dimethylsilane
1.2 CAS No.
1142943-96-1
1.3 CID
59179473
1.4 Molecular Formula
C24H44SI (isomer)
1.5 Inchi
InChI=1S/C10H9BrN4O/c11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6/h1-3,6H,4-5H2,(H,13,14,16)
1.6 InChkey
XLBCMNCPMMPNHH-UHFFFAOYSA-N
1.7 Canonical Smiles
C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3Br
1.8 Isomers Smiles
C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3Br
2. 3D Conformer
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data
  • Molecular Weight:281.113g/mol
  • Molecular Formula:C24H44SI
  • Compound Is Canonicalized:True
  • Exact Mass:279.996
  • Monoisotopic Mass:279.996
  • Complexity:297
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:59.3A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzoAAAEAAAAAAAAAAAGAAAAWAAAAAsAAAAAAAAAFgB4AAAHgBYAAABPQCBkwAxsJ7IEACq ACNydACShCshAqQdmCEwZLiIKPLAmZGEoAh4mQLIyjYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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N-(5-Bromo[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
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cyclopropanecarboxylic acid(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-amide CAS 1142943-96-1
  • Purity:99%Packing: 200kg/bag FOB
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cyclopropanecarboxylic acid (5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-amide
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/02/23
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N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
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cyclopropanecarboxylic acid (5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amide
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
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