Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione
TL;DR: Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione (CAS 83962-33-8) is a chemical compound with molecular formula C12H12OS and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2-benzofuran-3,1'-cyclopentane]-1-thione
Also Known As: Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione, 6-Oxo-1,3-cycloheptadien-1-carbonsaeure, spiro[2-benzofuran-3,1'-cyclopentane]-1-thione, 3H-Spiro[[2]benzofuran-1,1'-cyclopentane]-3-thione, Spiro[cyclopentane-1,1'(3'H)-isobenzofuran]-3'-thione
| Molecular Formula | C12H12OS |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 3.1616 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.06088 |
| Heavy Atoms | 14 |
| Complexity | 391.06314 |
Chemical Identifiers
| CAS Number | 83962-33-8 |
|---|---|
| SMILES | C1CCC2(C1)C3=CC=CC=C3C(=S)O2 |
Product Overview
Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione (CAS 83962-33-8), with molecular formula C12H12OS and molecular weight 204.06 g/mol. IUPAC: spiro[2-benzofuran-3,1'-cyclopentane]-1-thione.
Chemical Property Profile of Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione
Property Insights of Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione
The XLogP value of 3.1616 indicates that Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione 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 Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione?
The CAS number of Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione is 83962-33-8.
What is the molecular formula of Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione?
The molecular formula of Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione is C12H12OS.
What is the molecular weight of Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione?
The molecular weight of Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione is 204.06 g/mol.
Where can I buy Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione?
You can request a quote for Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione?
Yes, KEHONG BIO provides custom synthesis services for Spiro(cyclopentane-1,1'(3'H)-isobenzofuran)-3'-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.