1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)-
TL;DR: 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)- (CAS 60051-36-7) is a chemical compound with molecular formula C8H12S2 and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-prop-1-enyl-3,4-dihydrodithiine
Also Known As: 4-methyl-3-prop-1-enyl-3,4-dihydrodithiine, 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)-, 1,2-Dithiin,3,4-dihydro-4-methyl-3-(1-propenyl), 4-METHYL-3-(PROP-1-EN-1-YL)-3,4-DIHYDRO-1,2-DITHIINE, RefChem:216186
| Molecular Formula | C8H12S2 |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.03804 |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 60051-36-7 |
|---|---|
| SMILES | CC=CC1C(C=CSS1)C |
| InChIKey | GKMUSNHMVCWOHG-UHFFFAOYSA-N |
Product Overview
1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)- (CAS 60051-36-7), with molecular formula C8H12S2 and molecular weight 172.04 g/mol. IUPAC: 4-methyl-3-prop-1-enyl-3,4-dihydrodithiine.
Chemical Property Profile of 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)-
Property Insights of 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)-. With a topological polar surface area (TPSA) of 50.6 Ų, 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)- 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 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)-?
The CAS number of 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)- is 60051-36-7.
What is the molecular formula of 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)-?
The molecular formula of 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)- is C8H12S2.
What is the molecular weight of 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)-?
The molecular weight of 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)- is 172.04 g/mol.
Where can I buy 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)-?
You can request a quote for 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dithiin, 3,4-dihydro-4-methyl-3-(1-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.