3-Methyldibenzothiophene
TL;DR: 3-Methyldibenzothiophene (CAS 16587-52-3) is a chemical compound with molecular formula C13H10S and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyldibenzothiophene
Also Known As: 3-METHYLDIBENZOTHIOPHENE, Dibenzothiophene, 3-methyl-, 3-Methyldibenzo[b,d]thiophene, 7-Methyldibenzothiophene, 3-Methyl-dibenzothiophen
| Molecular Formula | C13H10S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.05032 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 16587-52-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=CC=CC=C3S2 |
| InChIKey | URUCEYZTJIJMLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyldibenzothiophene (CAS 16587-52-3), with molecular formula C13H10S and molecular weight 198.05 g/mol. IUPAC: 3-methyldibenzothiophene.
Chemical Property Profile of 3-Methyldibenzothiophene
Property Insights of 3-Methyldibenzothiophene
The XLogP value of 4.7 indicates that 3-Methyldibenzothiophene 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-Methyldibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyldibenzothiophene 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-Methyldibenzothiophene?
The CAS number of 3-Methyldibenzothiophene is 16587-52-3.
What is the molecular formula of 3-Methyldibenzothiophene?
The molecular formula of 3-Methyldibenzothiophene is C13H10S.
What is the molecular weight of 3-Methyldibenzothiophene?
The molecular weight of 3-Methyldibenzothiophene is 198.05 g/mol.
Where can I buy 3-Methyldibenzothiophene?
You can request a quote for 3-Methyldibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyldibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyldibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.