Endothall dithioanhydride
TL;DR: Endothall dithioanhydride (CAS 127311-95-9) is a chemical compound with molecular formula C8H8O2S2 and molecular weight 200.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,7S)-5-sulfanylidene-10-oxa-4-thiatricyclo[5.2.1.02,6]decan-3-one
Also Known As: Endothall dithioanhydride, 4,7-Epoxybenzo(c)thiophen-1(3H)-one, hexahydro-3-thioxo-, (3a-alpha,4-beta,7-beta,7a-alpha)-, Hexahydro-3-thioxo-4,7-epoxybenzo(c)thiophen-1(3H)-one, (3a-alpha,4-alpha,7-alpha,7a-alpha)-, 3-Sulfanylidenehexahydro-4,7-epoxy-2-benzothiophen-1(3H)-one, (3aR,4S,7R,7aS)-3-Sulfanylidenehexahydro-4,7-epoxy-2-benzothiophen-1(3H)-one
| Molecular Formula | C8H8O2S2 |
|---|---|
| Molecular Weight | 200.00 g/mol |
| LogP | 1.3808 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.99657 |
| Heavy Atoms | 12 |
| Complexity | 250.23143 |
Chemical Identifiers
| CAS Number | 127311-95-9 |
|---|---|
| SMILES | C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)SC3=S |
Product Overview
Endothall dithioanhydride (CAS 127311-95-9), with molecular formula C8H8O2S2 and molecular weight 200.00 g/mol. IUPAC: (1R,2S,6R,7S)-5-sulfanylidene-10-oxa-4-thiatricyclo[5.2.1.02,6]decan-3-one.
Chemical Property Profile of Endothall dithioanhydride
Property Insights of Endothall dithioanhydride
The XLogP value of 1.3808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Endothall dithioanhydride. With a topological polar surface area (TPSA) of 26.3 Ų, Endothall dithioanhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Endothall dithioanhydride has 0 hydrogen bond donor(s) and 4 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 Endothall dithioanhydride?
The CAS number of Endothall dithioanhydride is 127311-95-9.
What is the molecular formula of Endothall dithioanhydride?
The molecular formula of Endothall dithioanhydride is C8H8O2S2.
What is the molecular weight of Endothall dithioanhydride?
The molecular weight of Endothall dithioanhydride is 200.00 g/mol.
Where can I buy Endothall dithioanhydride?
You can request a quote for Endothall dithioanhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Endothall dithioanhydride?
Yes, KEHONG BIO provides custom synthesis services for Endothall dithioanhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.