1,3-二噻烷-1-氧化物
TL;DR: 1,3-二噻烷-1-氧化物 (CAS 16487-10-8) is a chemical compound with molecular formula C4H8OS2 and molecular weight 136.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二噻烷-1-氧化物
1,3-dithiane 1-oxide
Also Known As: 1,3-Dithiane, 1-oxide, 1,3-dithiane 1-oxide, 1,3-dithiane-1-oxide, 1,3-dithiane sulfoxide, m-DITHIANE, 1-OXIDE
| Molecular Formula | C4H8OS2 |
|---|---|
| Molecular Weight | 136.00 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.00166 |
| Heavy Atoms | 7 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 16487-10-8 |
|---|---|
| SMILES | C1CSCS(=O)C1 |
| InChIKey | ONTCBWKSXDATLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二噻烷-1-氧化物 (CAS 16487-10-8), with molecular formula C4H8OS2 and molecular weight 136.00 g/mol. IUPAC: 1,3-dithiane 1-oxide.
Chemical Property Profile of 1,3-二噻烷-1-氧化物
Property Insights of 1,3-二噻烷-1-氧化物
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二噻烷-1-氧化物. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-二噻烷-1-氧化物. Following Lipinski's Rule of Five, 1,3-二噻烷-1-氧化物 has 0 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 1,3-二噻烷-1-氧化物?
The CAS number of 1,3-二噻烷-1-氧化物 is 16487-10-8.
What is the molecular formula of 1,3-二噻烷-1-氧化物?
The molecular formula of 1,3-二噻烷-1-氧化物 is C4H8OS2.
What is the molecular weight of 1,3-二噻烷-1-氧化物?
The molecular weight of 1,3-二噻烷-1-氧化物 is 136.00 g/mol.
Where can I buy 1,3-二噻烷-1-氧化物?
You can request a quote for 1,3-二噻烷-1-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二噻烷-1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二噻烷-1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.