1,3-Dimethyldibenzothiophene
TL;DR: 1,3-Dimethyldibenzothiophene (CAS 31317-15-4) 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.
1,3-dimethyldibenzothiophene
Also Known As: 1,3-dimethyldibenzothiophene, p-Chloropropylbenzene, 1,3-dimethyl-Dibenzothiophene, 3,5-Dimethyldibenzothiophen, Dibenzothiophene, 1,3-dimethyl
| Molecular Formula | C14H12S |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 4.67134 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.06598 |
| Heavy Atoms | 15 |
| Complexity | 646.7922 |
Chemical Identifiers
| CAS Number | 31317-15-4 |
|---|---|
| SMILES | CC1=CC(=C2C3=CC=CC=C3SC2=C1)C |
Product Overview
1,3-Dimethyldibenzothiophene (CAS 31317-15-4), with molecular formula C14H12S and molecular weight 212.07 g/mol. IUPAC: 1,3-dimethyldibenzothiophene.
Chemical Property Profile of 1,3-Dimethyldibenzothiophene
Property Insights of 1,3-Dimethyldibenzothiophene
The XLogP value of 4.67134 indicates that 1,3-Dimethyldibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dimethyldibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-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 1,3-Dimethyldibenzothiophene?
The CAS number of 1,3-Dimethyldibenzothiophene is 31317-15-4.
What is the molecular formula of 1,3-Dimethyldibenzothiophene?
The molecular formula of 1,3-Dimethyldibenzothiophene is C14H12S.
What is the molecular weight of 1,3-Dimethyldibenzothiophene?
The molecular weight of 1,3-Dimethyldibenzothiophene is 212.07 g/mol.
Where can I buy 1,3-Dimethyldibenzothiophene?
You can request a quote for 1,3-Dimethyldibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyldibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyldibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.