2-Phenylhexahydro-1,3-benzodithiole
TL;DR: 2-Phenylhexahydro-1,3-benzodithiole (CAS 100613-85-2) is a chemical compound with molecular formula C13H16S2 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole
Also Known As: 2-phenylhexahydro-1,3-benzodithiole, 2-phenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole
| Molecular Formula | C13H16S2 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 4.4764 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.06934 |
| Heavy Atoms | 15 |
| Complexity | 308.56766 |
Chemical Identifiers
| CAS Number | 100613-85-2 |
|---|---|
| SMILES | C1CCC2C(C1)SC(S2)C3=CC=CC=C3 |
Product Overview
2-Phenylhexahydro-1,3-benzodithiole (CAS 100613-85-2), with molecular formula C13H16S2 and molecular weight 236.07 g/mol. IUPAC: 2-phenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole.
Chemical Property Profile of 2-Phenylhexahydro-1,3-benzodithiole
Property Insights of 2-Phenylhexahydro-1,3-benzodithiole
The XLogP value of 4.4764 indicates that 2-Phenylhexahydro-1,3-benzodithiole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Phenylhexahydro-1,3-benzodithiole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylhexahydro-1,3-benzodithiole 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 2-Phenylhexahydro-1,3-benzodithiole?
The CAS number of 2-Phenylhexahydro-1,3-benzodithiole is 100613-85-2.
What is the molecular formula of 2-Phenylhexahydro-1,3-benzodithiole?
The molecular formula of 2-Phenylhexahydro-1,3-benzodithiole is C13H16S2.
What is the molecular weight of 2-Phenylhexahydro-1,3-benzodithiole?
The molecular weight of 2-Phenylhexahydro-1,3-benzodithiole is 236.07 g/mol.
Where can I buy 2-Phenylhexahydro-1,3-benzodithiole?
You can request a quote for 2-Phenylhexahydro-1,3-benzodithiole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylhexahydro-1,3-benzodithiole?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylhexahydro-1,3-benzodithiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.