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Benzene, [1-(methylthio)ethyl]-
TL;DR: Benzene, [1-(methylthio)ethyl]- (CAS 13125-70-7) is a chemical compound with molecular formula C9H12S and molecular weight 152.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanylethylbenzene
Also Known As: 1-methylsulfanylethylbenzene, n-heptyl magnesium bromide, 1-Phenylethylmethyl sulfide, [1-(Methylsulfanyl)ethyl]benzene, Benzene, [1-(methylthio)ethyl]-
| Molecular Formula | C9H12S |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.06598 |
| Heavy Atoms | 10 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 13125-70-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)SC |
| InChIKey | VRWTYTHRWWKAGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, [1-(methylthio)ethyl]- (CAS 13125-70-7), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: 1-methylsulfanylethylbenzene.
Chemical Property Profile of Benzene, [1-(methylthio)ethyl]-
Property Insights of Benzene, [1-(methylthio)ethyl]-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, [1-(methylthio)ethyl]-. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, [1-(methylthio)ethyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [1-(methylthio)ethyl]- 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 Benzene, [1-(methylthio)ethyl]-?
The CAS number of Benzene, [1-(methylthio)ethyl]- is 13125-70-7.
What is the molecular formula of Benzene, [1-(methylthio)ethyl]-?
The molecular formula of Benzene, [1-(methylthio)ethyl]- is C9H12S.
What is the molecular weight of Benzene, [1-(methylthio)ethyl]-?
The molecular weight of Benzene, [1-(methylthio)ethyl]- is 152.07 g/mol.
Where can I buy Benzene, [1-(methylthio)ethyl]-?
You can request a quote for Benzene, [1-(methylthio)ethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [1-(methylthio)ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [1-(methylthio)ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.