2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl-
TL;DR: 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl- (CAS 10153-31-8) is a chemical compound with molecular formula C12H16S2 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,8-trimethyl-1,5-dihydro-2,4-benzodithiepine
Also Known As: 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl-, BAS 01157870, 3,7,8-trimethyl-1,5-dihydro-2,4-benzodithiepine, J1.065.273A, 3,7,8-Trimethyl-1,5-dihydro-2,4-benzodithiepin
| Molecular Formula | C12H16S2 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.06934 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 10153-31-8 |
|---|---|
| SMILES | CC1SCC2=C(CS1)C=C(C(=C2)C)C |
| InChIKey | KVQRRTGJIVOWNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl- (CAS 10153-31-8), with molecular formula C12H16S2 and molecular weight 224.07 g/mol. IUPAC: 3,7,8-trimethyl-1,5-dihydro-2,4-benzodithiepine.
Chemical Property Profile of 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl-
Property Insights of 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl-
The XLogP value of 3.9 indicates that 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl- has 0 hydrogen bond donor(s) and 2 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 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl-?
The CAS number of 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl- is 10153-31-8.
What is the molecular formula of 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl-?
The molecular formula of 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl- is C12H16S2.
What is the molecular weight of 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl-?
The molecular weight of 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl- is 224.07 g/mol.
Where can I buy 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl-?
You can request a quote for 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Benzodithiepin, 1,5-dihydro-3,7,8-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.