Benzene, 1-methyl-2-(phenylthio)-
TL;DR: Benzene, 1-methyl-2-(phenylthio)- (CAS 61300-09-2) is a chemical compound with molecular formula C13H12S and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-phenylsulfanylbenzene
Also Known As: 2-Methyl diphenyl sulfide, phenyl(o-tolyl)sulfane, Benzene, 1-methyl-2-(phenylthio)-, phenyl o-tolyl sulfide, 1-methyl-2-phenylsulfanylbenzene
| Molecular Formula | C13H12S |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.06598 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 61300-09-2 |
|---|---|
| SMILES | CC1=CC=CC=C1SC2=CC=CC=C2 |
| InChIKey | KXCVWFIROSGRRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-2-(phenylthio)- (CAS 61300-09-2), with molecular formula C13H12S and molecular weight 200.07 g/mol. IUPAC: 1-methyl-2-phenylsulfanylbenzene.
Chemical Property Profile of Benzene, 1-methyl-2-(phenylthio)-
Property Insights of Benzene, 1-methyl-2-(phenylthio)-
The XLogP value of 4.4 indicates that Benzene, 1-methyl-2-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, 1-methyl-2-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-2-(phenylthio)- 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-methyl-2-(phenylthio)-?
The CAS number of Benzene, 1-methyl-2-(phenylthio)- is 61300-09-2.
What is the molecular formula of Benzene, 1-methyl-2-(phenylthio)-?
The molecular formula of Benzene, 1-methyl-2-(phenylthio)- is C13H12S.
What is the molecular weight of Benzene, 1-methyl-2-(phenylthio)-?
The molecular weight of Benzene, 1-methyl-2-(phenylthio)- is 200.07 g/mol.
Where can I buy Benzene, 1-methyl-2-(phenylthio)-?
You can request a quote for Benzene, 1-methyl-2-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-2-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-2-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.