Thiepin, 2,7-dihydro-, 1,1-dioxide
TL;DR: Thiepin, 2,7-dihydro-, 1,1-dioxide (CAS 16301-86-3) is a chemical compound with molecular formula C6H8O2S and molecular weight 144.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dihydrothiepine 1,1-dioxide
Also Known As: 2,7-dihydrothiepine 1,1-dioxide, Thiepin, 2,7-dihydro-, 1,1-dioxide, 2,7-dihydrothiepin-1,1-dioxide, 2,7-dihydro-thiepine 1,1-dioxide, 2,7-Dihydro-1H-1lambda~6~-thiepine-1,1-dione
| Molecular Formula | C6H8O2S |
|---|---|
| Molecular Weight | 144.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.0245 |
| Heavy Atoms | 9 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 16301-86-3 |
|---|---|
| SMILES | C1C=CC=CCS1(=O)=O |
| InChIKey | BWSNPYHFIQWDHA-UHFFFAOYSA-N |
Product Overview
Thiepin, 2,7-dihydro-, 1,1-dioxide (CAS 16301-86-3), with molecular formula C6H8O2S and molecular weight 144.02 g/mol. IUPAC: 2,7-dihydrothiepine 1,1-dioxide.
Chemical Property Profile of Thiepin, 2,7-dihydro-, 1,1-dioxide
Property Insights of Thiepin, 2,7-dihydro-, 1,1-dioxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiepin, 2,7-dihydro-, 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, Thiepin, 2,7-dihydro-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiepin, 2,7-dihydro-, 1,1-dioxide 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 Thiepin, 2,7-dihydro-, 1,1-dioxide?
The CAS number of Thiepin, 2,7-dihydro-, 1,1-dioxide is 16301-86-3.
What is the molecular formula of Thiepin, 2,7-dihydro-, 1,1-dioxide?
The molecular formula of Thiepin, 2,7-dihydro-, 1,1-dioxide is C6H8O2S.
What is the molecular weight of Thiepin, 2,7-dihydro-, 1,1-dioxide?
The molecular weight of Thiepin, 2,7-dihydro-, 1,1-dioxide is 144.02 g/mol.
Where can I buy Thiepin, 2,7-dihydro-, 1,1-dioxide?
You can request a quote for Thiepin, 2,7-dihydro-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiepin, 2,7-dihydro-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Thiepin, 2,7-dihydro-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.