Tos- pentane- azide - CAS 1407974-54-2
Catalog: |
BB057659 |
Product Name: |
Tos- pentane- azide |
CAS: |
1407974-54-2 |
Synonyms: |
5- Azidepentyl- p- toluenesulfonate |
IUPAC Name: | 5-azidopentyl 4-methylbenzenesulfonate |
Description: | Tos- pentane- azide is a useful reagent in the preparation of macrocyclic compounds with natural product-like characteristics. |
Molecular Weight: | 283.35 |
Molecular Formula: | C12H17N3O3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCCCCCN=[N+]=[N-] |
InChI: | InChI=1S/C12H17N3O3S/c1-11-5-7-12(8-6-11)19(16,17)18-10-4-2-3-9-14-15-13/h5-8H,2-4,9-10H2,1H3 |
InChI Key: | YRCBZIBQKNHADI-UHFFFAOYSA-N |
References: | Ciardiello, J. J., et al. Tetrahedron, 3567 (2016). |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.09906259 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.09906259 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 66.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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