Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-
TL;DR: Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl- (CAS 54889-44-0) is a chemical compound with molecular formula C13H14S and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-1,2,3,4-tetrahydrodibenzothiophene
Also Known As: 1,2,3,4-Tetrahydro-8-methyldibenzothiophene, Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-, 8-methyl-1,2,3,4-tetrahydrodibenzothiophene, 8-Methyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene #, 4-methyl-8-thiatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
| Molecular Formula | C13H14S |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.08162 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 54889-44-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC3=C2CCCC3 |
| InChIKey | UMLADAJNBJVNDI-UHFFFAOYSA-N |
Product Overview
Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl- (CAS 54889-44-0), with molecular formula C13H14S and molecular weight 202.08 g/mol. IUPAC: 8-methyl-1,2,3,4-tetrahydrodibenzothiophene.
Chemical Property Profile of Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-
Property Insights of Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-
The XLogP value of 4.5 indicates that Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl- 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 Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-?
The CAS number of Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl- is 54889-44-0.
What is the molecular formula of Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-?
The molecular formula of Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl- is C13H14S.
What is the molecular weight of Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-?
The molecular weight of Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl- is 202.08 g/mol.
Where can I buy Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-?
You can request a quote for Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.