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tert-butyl-[tert-butyl(dimethyl)silyl]sulfanyl-dimethylsilane structure
tert-butyl-[tert-butyl(dimethyl)silyl]sulfanyl-dimethylsilane structure

tert-butyl-[tert-butyl(dimethyl)silyl]sulfanyl-dimethylsilane

Iupac Name:benzyl (2R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS No.:1009335-39-0
Molecular Weight:251.282
1. Names and Identifiers
1.1 Name
tert-butyl-[tert-butyl(dimethyl)silyl]sulfanyl-dimethylsilane
1.2 Synonyms

1,3-di-tert-butyl-1,1,3,3-tetramethyldisilathiane AC1MXCO4 bis(tert-butyldimethylsilyl) sulfide CTK1B9766 disilathiane, 1,3-bis(1,1-dimethylethyl)-1,1,3,3-tetramethyl- DTXSID10396087 tert-butyl[(tert-butyldimethylsilyl)sulfanyl]dimethylsilane

1.3 CAS No.
1009335-39-0
1.4 CID
59704763
1.5 Molecular Formula
C10H26CL2SI2SN (isomer)
1.6 Inchi
InChI=1S/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12-/m1/s1
1.7 InChkey
WDEQGLDWZMIMJM-VXGBXAGGSA-N
1.8 Canonical Smiles
C1C(CN(C1CO)C(=O)OCC2=CC=CC=C2)O
1.9 Isomers Smiles
C1[C@H](CN([C@H]1CO)C(=O)OCC2=CC=CC=C2)O
2. Properties
2.1 Boiling Point
470.2±24.0 °C(Predicted)
3. Computational chemical data
  • Molecular Weight:251.282g/mol
  • Molecular Formula:C10H26CL2SI2SN
  • Compound Is Canonicalized:True
  • Exact Mass:251.116
  • Monoisotopic Mass:251.116
  • Complexity:278
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:70A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:2
  • 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: AAADceByOAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAACAAADDzhmAYwCIMABgCI AiBCGAACAAAgAAAIiAAICIgKNiKAsRiMcAAmxgGYqAfQ0CIOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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