DBCO-SS-amine

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DBCO-SS-amine

DBCO-SS-amine

Catalog Number R01-0279
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C23H25N3O2S2
Molecular Weight 439.59
Catalog Number Size Price Quantity
R01-0279 -- $--

Chemical Information

Purity ≥95%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCSSCCN
InChI InChI=1S/C23H25N3O2S2/c24-13-15-29-30-16-14-25-22(27)11-12-23(28)26-17-20-7-2-1-5-18(20)9-10-19-6-3-4-8-21(19)26/h1-8H,11-17,24H2,(H,25,27)
InChI Key CZMYTLNFEACBDG-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance white foam
  • Product Specification
Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 1.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 9
Exact Mass 439.13881940 g/mol
Monoisotopic Mass 439.13881940 g/mol
Topological Polar Surface Area 126Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 645
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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