![3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene structure](/static/products/907/90772-76-2.png)
3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene
TL;DR: 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene (CAS 90772-76-2) is a chemical compound with molecular formula C14H16S and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dimethyl-1,2,3,4-tetrahydrodibenzothiophene
Also Known As: NCIOpen2_004432, 3,8-dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene, 3,8-dimethyl-1,2,3,4-tetrahydrodibenzothiophene
| Molecular Formula | C14H16S |
|---|---|
| Molecular Weight | 216.10 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 | 216.09727 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 90772-76-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C=C(C=C3)C |
| InChIKey | VEXIWSNTPSMCIN-UHFFFAOYSA-N |
Product Overview
3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene (CAS 90772-76-2), with molecular formula C14H16S and molecular weight 216.10 g/mol. IUPAC: 3,8-dimethyl-1,2,3,4-tetrahydrodibenzothiophene.
Chemical Property Profile of 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene
Property Insights of 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene
The XLogP value of 5.0 indicates that 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene 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 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene?
The CAS number of 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene is 90772-76-2.
What is the molecular formula of 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene?
The molecular formula of 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene is C14H16S.
What is the molecular weight of 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene?
The molecular weight of 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene is 216.10 g/mol.
Where can I buy 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene?
You can request a quote for 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Dimethyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.