3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)-
TL;DR: 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)- (CAS 57556-04-4) is a chemical compound with molecular formula C8H12OS and molecular weight 156.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-propan-2-ylthiophen-3-one
Also Known As: 2-methyl-5-propan-2-ylthiophen-3-one, 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)-, 3(2H)-Thiophenone,2-methyl-5-(1-methylethyl)-, 2-Methyl-5-(propan-2-yl)thiophen-3(2H)-one
| Molecular Formula | C8H12OS |
|---|---|
| Molecular Weight | 156.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.06088 |
| Heavy Atoms | 10 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 57556-04-4 |
|---|---|
| SMILES | CC1C(=O)C=C(S1)C(C)C |
| InChIKey | STHSYEFNGPMCRF-UHFFFAOYSA-N |
Product Overview
3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)- (CAS 57556-04-4), with molecular formula C8H12OS and molecular weight 156.06 g/mol. IUPAC: 2-methyl-5-propan-2-ylthiophen-3-one.
Chemical Property Profile of 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)-
Property Insights of 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)-. With a topological polar surface area (TPSA) of 42.4 Ų, 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)- 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 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)-?
The CAS number of 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)- is 57556-04-4.
What is the molecular formula of 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)-?
The molecular formula of 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)- is C8H12OS.
What is the molecular weight of 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)-?
The molecular weight of 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)- is 156.06 g/mol.
Where can I buy 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)-?
You can request a quote for 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Thiophenone, 2-methyl-5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.