3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine
TL;DR: 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine (CAS 65710-89-6) is a chemical compound with molecular formula C13H10S2 and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine
Also Known As: Thiarubrine C [MI], THIARUBRINE C, O-dithiin, 3-(3,5-hexadien-1-ynyl)-5-(1-propynyl)-, 1,2-Dithiin, 3-(3,5-hexadien-1-ynyl)-6-(1-propynyl)-, 3-[(3E)-hexa-3,5-dien-1-ynyl]-6-prop-1-ynyl-dithiine
| Molecular Formula | C13H10S2 |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0224 |
| Heavy Atoms | 15 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 65710-89-6 |
|---|---|
| SMILES | CC#CC1=CC=C(SS1)C#CC=CC=C |
| InChIKey | VWFQWQAMVFRICV-UHFFFAOYSA-N |
Product Overview
3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine (CAS 65710-89-6), with molecular formula C13H10S2 and molecular weight 230.02 g/mol. IUPAC: 3-hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine.
Chemical Property Profile of 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine
Property Insights of 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine
The XLogP value of 4.1 indicates that 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine 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 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine?
The CAS number of 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine is 65710-89-6.
What is the molecular formula of 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine?
The molecular formula of 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine is C13H10S2.
What is the molecular weight of 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine?
The molecular weight of 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine is 230.02 g/mol.
Where can I buy 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine?
You can request a quote for 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexa-3,5-dien-1-ynyl-6-prop-1-ynyldithiine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.