![(1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene structure](/static/products/7240/72403-63-5.webp)
(1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene
TL;DR: (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene (CAS 72403-63-5) is a chemical compound with molecular formula C11H13NS and molecular weight 191.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene
Also Known As: exo-5-Isothiocyano-5,6-dihydro-endo-dicyclopentadiene, 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-6-isothiocyanato-, (3aR,4R,6S,7R,7aS)-rel-, 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-6-isothiocyanato-, (3a.alpha.,4.alpha.,6.alpha.,7.alpha.,7a.alpha.)-
| Molecular Formula | C11H13NS |
|---|---|
| Molecular Weight | 191.08 g/mol |
| LogP | 2.6899 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.07687 |
| Heavy Atoms | 13 |
| Complexity | 303.21213 |
Chemical Identifiers
| CAS Number | 72403-63-5 |
|---|---|
| SMILES | C1C=C[C@H]2[C@@H]1[C@H]3C[C@@H]2C[C@H]3N=C=S |
Product Overview
(1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene (CAS 72403-63-5), with molecular formula C11H13NS and molecular weight 191.08 g/mol. IUPAC: (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene.
Chemical Property Profile of (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene
Property Insights of (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene
The XLogP value of 2.6899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene. With a topological polar surface area (TPSA) of 12.36 Ų, (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene?
The CAS number of (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene is 72403-63-5.
What is the molecular formula of (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene?
The molecular formula of (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene is C11H13NS.
What is the molecular weight of (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene?
The molecular weight of (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene is 191.08 g/mol.
Where can I buy (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene?
You can request a quote for (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene?
Yes, KEHONG BIO provides custom synthesis services for (1R,2S,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.