3,4-Dimethyldibenzothiophene
TL;DR: 3,4-Dimethyldibenzothiophene (CAS 23654-30-0) is a chemical compound with molecular formula C14H12S and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyldibenzothiophene
Also Known As: 3,4-dimethyldibenzothiophene, 4,3-Dimethyldibenzothiophene, Dibenzothiophene, 3,4-dimethyl, 3,4-dimethyldibenzo[b,d]thiophene, 5,6-dimethyl-8-thiatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C14H12S |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.06598 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 23654-30-0 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C3=CC=CC=C3S2)C |
| InChIKey | BRZWYUOAWQYIAT-UHFFFAOYSA-N |
Product Overview
3,4-Dimethyldibenzothiophene (CAS 23654-30-0), with molecular formula C14H12S and molecular weight 212.07 g/mol. IUPAC: 3,4-dimethyldibenzothiophene.
Chemical Property Profile of 3,4-Dimethyldibenzothiophene
Property Insights of 3,4-Dimethyldibenzothiophene
The XLogP value of 5.0 indicates that 3,4-Dimethyldibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 3,4-Dimethyldibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyldibenzothiophene has 0 hydrogen bond donor(s) and 1 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 3,4-Dimethyldibenzothiophene?
The CAS number of 3,4-Dimethyldibenzothiophene is 23654-30-0.
What is the molecular formula of 3,4-Dimethyldibenzothiophene?
The molecular formula of 3,4-Dimethyldibenzothiophene is C14H12S.
What is the molecular weight of 3,4-Dimethyldibenzothiophene?
The molecular weight of 3,4-Dimethyldibenzothiophene is 212.07 g/mol.
Where can I buy 3,4-Dimethyldibenzothiophene?
You can request a quote for 3,4-Dimethyldibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyldibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyldibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.