1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate
TL;DR: 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate (CAS 469886-41-7) is a chemical compound with molecular formula C16H15BrS2 and molecular weight 349.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpropan-2-yl 4-bromobenzenecarbodithioate
Also Known As: 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate, 1-Phenylpropan-2-yl 4-bromobenzene-1-carbodithioate, (4-bromophenyl)-(1-phenylpropan-2-ylsulfanyl)methanethione
| Molecular Formula | C16H15BrS2 |
|---|---|
| Molecular Weight | 349.98 g/mol |
| LogP | 5.489 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.97986 |
| Heavy Atoms | 19 |
| Complexity | 534.4352 |
Chemical Identifiers
| CAS Number | 469886-41-7 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)SC(=S)C2=CC=C(C=C2)Br |
Product Overview
1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate (CAS 469886-41-7), with molecular formula C16H15BrS2 and molecular weight 349.98 g/mol. IUPAC: 1-phenylpropan-2-yl 4-bromobenzenecarbodithioate.
Chemical Property Profile of 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate
Property Insights of 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate
The XLogP value of 5.489 indicates that 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate?
The CAS number of 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate is 469886-41-7.
What is the molecular formula of 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate?
The molecular formula of 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate is C16H15BrS2.
What is the molecular weight of 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate?
The molecular weight of 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate is 349.98 g/mol.
Where can I buy 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate?
You can request a quote for 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-phenylethyl 4-bromobenzenecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.