2,5-Dihydrothiophene, 3-methyl-
TL;DR: 2,5-Dihydrothiophene, 3-methyl- (CAS 42855-50-5) is a chemical compound with molecular formula C5H8S and molecular weight 100.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,5-dihydrothiophene
Also Known As: 2,5-Dihydrothiophene, 3-methyl-, 3-methyl-3-thiolene, 3-methyl-2,5-dihydrothiophene, 3-methyl-2,5-dihydro-thiophene, 2,5-Dihydrothiophene,3-methyl
| Molecular Formula | C5H8S |
|---|---|
| Molecular Weight | 100.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.03467 |
| Heavy Atoms | 6 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 42855-50-5 |
|---|---|
| SMILES | CC1=CCSC1 |
| InChIKey | RJSLKQRSSBPMMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dihydrothiophene, 3-methyl- (CAS 42855-50-5), with molecular formula C5H8S and molecular weight 100.03 g/mol. IUPAC: 3-methyl-2,5-dihydrothiophene.
Chemical Property Profile of 2,5-Dihydrothiophene, 3-methyl-
Property Insights of 2,5-Dihydrothiophene, 3-methyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dihydrothiophene, 3-methyl-. With a topological polar surface area (TPSA) of 25.3 Ų, 2,5-Dihydrothiophene, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dihydrothiophene, 3-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 2,5-Dihydrothiophene, 3-methyl-?
The CAS number of 2,5-Dihydrothiophene, 3-methyl- is 42855-50-5.
What is the molecular formula of 2,5-Dihydrothiophene, 3-methyl-?
The molecular formula of 2,5-Dihydrothiophene, 3-methyl- is C5H8S.
What is the molecular weight of 2,5-Dihydrothiophene, 3-methyl-?
The molecular weight of 2,5-Dihydrothiophene, 3-methyl- is 100.03 g/mol.
Where can I buy 2,5-Dihydrothiophene, 3-methyl-?
You can request a quote for 2,5-Dihydrothiophene, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihydrothiophene, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydrothiophene, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.