1,3-Benzodithiole, 2-ethyl-2-methyl-
TL;DR: 1,3-Benzodithiole, 2-ethyl-2-methyl- (CAS 58657-45-7) is a chemical compound with molecular formula C10H12S2 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-methyl-1,3-benzodithiole
Also Known As: 1,3-Benzodithiole, 2-ethyl-2-methyl-, 2-ethyl-2-methyl-1,3-benzodithiole, 1,3-Benzodithiole-2-ethyl-2-methyl-, 2-Ethyl-2-methyl-2H-1,3-benzodithiole, RefChem:217966
| Molecular Formula | C10H12S2 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.03804 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 58657-45-7 |
|---|---|
| SMILES | CCC1(SC2=CC=CC=C2S1)C |
| InChIKey | MWSXWSMYCKMRRK-UHFFFAOYSA-N |
Product Overview
1,3-Benzodithiole, 2-ethyl-2-methyl- (CAS 58657-45-7), with molecular formula C10H12S2 and molecular weight 196.04 g/mol. IUPAC: 2-ethyl-2-methyl-1,3-benzodithiole.
Chemical Property Profile of 1,3-Benzodithiole, 2-ethyl-2-methyl-
Property Insights of 1,3-Benzodithiole, 2-ethyl-2-methyl-
The XLogP value of 4.0 indicates that 1,3-Benzodithiole, 2-ethyl-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Benzodithiole, 2-ethyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodithiole, 2-ethyl-2-methyl- 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 1,3-Benzodithiole, 2-ethyl-2-methyl-?
The CAS number of 1,3-Benzodithiole, 2-ethyl-2-methyl- is 58657-45-7.
What is the molecular formula of 1,3-Benzodithiole, 2-ethyl-2-methyl-?
The molecular formula of 1,3-Benzodithiole, 2-ethyl-2-methyl- is C10H12S2.
What is the molecular weight of 1,3-Benzodithiole, 2-ethyl-2-methyl-?
The molecular weight of 1,3-Benzodithiole, 2-ethyl-2-methyl- is 196.04 g/mol.
Where can I buy 1,3-Benzodithiole, 2-ethyl-2-methyl-?
You can request a quote for 1,3-Benzodithiole, 2-ethyl-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodithiole, 2-ethyl-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodithiole, 2-ethyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.