8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol
TL;DR: 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol (CAS 6281-80-7) is a chemical compound with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-2,3,4,6-tetrahydro-1,5-benzoxathiocin-3-ol
Also Known As: 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol, 8-chloro-2,3,4,6-tetrahydro-1,5-benzoxathiocin-3-ol, 8-chloro-3,4-dihydro-2H,6H-benz[b][1,5]oxathiocin-3-ol
| Molecular Formula | C10H11ClO2S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.01683 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 6281-80-7 |
|---|---|
| SMILES | C1C(CSCC2=C(O1)C=CC(=C2)Cl)O |
| InChIKey | OSXWSMBKKVLICS-UHFFFAOYSA-N |
Product Overview
8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol (CAS 6281-80-7), with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol. IUPAC: 8-chloro-2,3,4,6-tetrahydro-1,5-benzoxathiocin-3-ol.
Chemical Property Profile of 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol
Property Insights of 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol. With a topological polar surface area (TPSA) of 54.8 Ų, 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol has 1 hydrogen bond donor(s) and 3 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 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol?
The CAS number of 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol is 6281-80-7.
What is the molecular formula of 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol?
The molecular formula of 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol is C10H11ClO2S.
What is the molecular weight of 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol?
The molecular weight of 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol is 230.02 g/mol.
Where can I buy 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol?
You can request a quote for 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.