5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-
TL;DR: 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro- (CAS 129679-48-7) is a chemical compound with molecular formula C12H8O2S2 and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dithiatetracyclo[8.4.0.02,6.05,9]tetradeca-1(14),10,12-triene-4,7-dione
Also Known As: 5,6-Benzobis-thiololactone, 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-, 4,5-Dihydro-5,1,4-(epithioethane[1,2,2]triyl)-2-benzothiepine-3,11(1H)-dione, RefChem:298066
| Molecular Formula | C12H8O2S2 |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 2.5616 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.99657 |
| Heavy Atoms | 16 |
| Complexity | 478.50497 |
Chemical Identifiers
| CAS Number | 129679-48-7 |
|---|---|
| SMILES | C1=CC=C2C3C4C(C(C2=C1)SC4=O)C(=O)S3 |
Product Overview
5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro- (CAS 129679-48-7), with molecular formula C12H8O2S2 and molecular weight 248.00 g/mol. IUPAC: 3,8-dithiatetracyclo[8.4.0.02,6.05,9]tetradeca-1(14),10,12-triene-4,7-dione.
Chemical Property Profile of 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-
Property Insights of 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-
The XLogP value of 2.5616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-. With a topological polar surface area (TPSA) of 34.14 Ų, 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro- 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 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-?
The CAS number of 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro- is 129679-48-7.
What is the molecular formula of 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-?
The molecular formula of 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro- is C12H8O2S2.
What is the molecular weight of 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-?
The molecular weight of 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro- is 248.00 g/mol.
Where can I buy 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-?
You can request a quote for 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.