5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose
TL;DR: 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose (CAS 20280-81-3) is a chemical compound with molecular formula C9H14O4S and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-(thiiran-2-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
Also Known As: 5,6-anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose, 2,2-Dimethyl-5-thiiranyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-ol, 2,2-dimethyl-5-(thiiran-2-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
| Molecular Formula | C9H14O4S |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.06128 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 20280-81-3 |
|---|---|
| SMILES | CC1(OC2C(C(OC2O1)C3CS3)O)C |
| InChIKey | ZBWORIXQRDHVRT-UHFFFAOYSA-N |
Product Overview
5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose (CAS 20280-81-3), with molecular formula C9H14O4S and molecular weight 218.06 g/mol. IUPAC: 2,2-dimethyl-5-(thiiran-2-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
Chemical Property Profile of 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose
Property Insights of 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose. Following Lipinski's Rule of Five, 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose has 1 hydrogen bond donor(s) and 5 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 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose?
The CAS number of 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose is 20280-81-3.
What is the molecular formula of 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose?
The molecular formula of 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose is C9H14O4S.
What is the molecular weight of 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose?
The molecular weight of 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose is 218.06 g/mol.
Where can I buy 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose?
You can request a quote for 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Anhydro-1,2-o-(1-methylethylidene)-5-thiohexofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.