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Benzene, [(1,1-dimethyl-2-phenylethyl)thio]-
TL;DR: Benzene, [(1,1-dimethyl-2-phenylethyl)thio]- (CAS 79399-22-7) is a chemical compound with molecular formula C16H18S and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1-phenylpropan-2-yl)sulfanylbenzene
Also Known As: Benzene, [(1,1-dimethyl-2-phenylethyl)thio]-, (2-methyl-1-phenylpropan-2-yl)sulfanylbenzene, (2-methyl-2-phenylsulfanyl-propyl)benzene, (2-methyl-1-phenylpropan-2-yl)(phenyl)sulfane, (2-Phenyl-1,1-dimethyl-ethylsulfanyl)-benzene
| Molecular Formula | C16H18S |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.11292 |
| Heavy Atoms | 17 |
| Complexity | 401.9661 |
Chemical Identifiers
| CAS Number | 79399-22-7 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)SC2=CC=CC=C2 |
Product Overview
Benzene, [(1,1-dimethyl-2-phenylethyl)thio]- (CAS 79399-22-7), with molecular formula C16H18S and molecular weight 242.11 g/mol. IUPAC: (2-methyl-1-phenylpropan-2-yl)sulfanylbenzene.
Chemical Property Profile of Benzene, [(1,1-dimethyl-2-phenylethyl)thio]-
Property Insights of Benzene, [(1,1-dimethyl-2-phenylethyl)thio]-
The XLogP value of 4.8 indicates that Benzene, [(1,1-dimethyl-2-phenylethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, [(1,1-dimethyl-2-phenylethyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [(1,1-dimethyl-2-phenylethyl)thio]- 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, [(1,1-dimethyl-2-phenylethyl)thio]-?
The CAS number of Benzene, [(1,1-dimethyl-2-phenylethyl)thio]- is 79399-22-7.
What is the molecular formula of Benzene, [(1,1-dimethyl-2-phenylethyl)thio]-?
The molecular formula of Benzene, [(1,1-dimethyl-2-phenylethyl)thio]- is C16H18S.
What is the molecular weight of Benzene, [(1,1-dimethyl-2-phenylethyl)thio]-?
The molecular weight of Benzene, [(1,1-dimethyl-2-phenylethyl)thio]- is 242.11 g/mol.
Where can I buy Benzene, [(1,1-dimethyl-2-phenylethyl)thio]-?
You can request a quote for Benzene, [(1,1-dimethyl-2-phenylethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [(1,1-dimethyl-2-phenylethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [(1,1-dimethyl-2-phenylethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.