Cas no 918882-57-2 (2,6-Bis(tert-butylthio)benzaldehyde)

2,6-Bis(tert-butylthio)benzaldehyde structure
918882-57-2 structure
Product Name:2,6-Bis(tert-butylthio)benzaldehyde
CAS No:918882-57-2
MF:C15H22OS2
MW:282.4645819664
CID:769355
Update Time:2023-08-03

2,6-Bis(tert-butylthio)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 2,6-bis[(1,1-dimethylethyl)thio]-
    • 2,6-bis(tert-butylsulfanyl)benzaldehyde
    • 2,6-Bis(tert-butylthio)benzaldehyde
    • Inchi: 1S/C15H22OS2/c1-14(2,3)17-12-8-7-9-13(11(12)10-16)18-15(4,5)6/h7-10H,1-6H3
    • InChI Key: WKNQCKPTPVZUQD-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C(C=1C=O)SC(C)(C)C)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 251
  • Topological Polar Surface Area: 67.7
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