ethyl (4-bromophenyl)carbamothioylsulfanylformate
TL;DR: ethyl (4-bromophenyl)carbamothioylsulfanylformate (CAS 20976-13-0) is a chemical compound with molecular formula C10H10BrNO2S2 and molecular weight 318.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4-bromophenyl)carbamothioylsulfanylformate
Also Known As: ethyl (4-bromophenyl)carbamothioylsulfanylformate, Carbonic acid, thio-, anhydrosulfide with p-bromodithiocarbanilic acid, ethyl ester, Thiocarbonic acid anhydrosulfide with p-bromodithiocarbanilic acid ethyl ester, RefChem:333444
| Molecular Formula | C10H10BrNO2S2 |
|---|---|
| Molecular Weight | 318.93 g/mol |
| LogP | 4.0356 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.93362 |
| Heavy Atoms | 16 |
| Complexity | 380.91034 |
Chemical Identifiers
| CAS Number | 20976-13-0 |
|---|---|
| SMILES | CCOC(=O)SC(=S)NC1=CC=C(C=C1)Br |
Product Overview
ethyl (4-bromophenyl)carbamothioylsulfanylformate (CAS 20976-13-0), with molecular formula C10H10BrNO2S2 and molecular weight 318.93 g/mol. IUPAC: ethyl (4-bromophenyl)carbamothioylsulfanylformate.
Chemical Property Profile of ethyl (4-bromophenyl)carbamothioylsulfanylformate
Property Insights of ethyl (4-bromophenyl)carbamothioylsulfanylformate
The XLogP value of 4.0356 indicates that ethyl (4-bromophenyl)carbamothioylsulfanylformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, ethyl (4-bromophenyl)carbamothioylsulfanylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (4-bromophenyl)carbamothioylsulfanylformate has 1 hydrogen bond donor(s) and 4 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 ethyl (4-bromophenyl)carbamothioylsulfanylformate?
The CAS number of ethyl (4-bromophenyl)carbamothioylsulfanylformate is 20976-13-0.
What is the molecular formula of ethyl (4-bromophenyl)carbamothioylsulfanylformate?
The molecular formula of ethyl (4-bromophenyl)carbamothioylsulfanylformate is C10H10BrNO2S2.
What is the molecular weight of ethyl (4-bromophenyl)carbamothioylsulfanylformate?
The molecular weight of ethyl (4-bromophenyl)carbamothioylsulfanylformate is 318.93 g/mol.
Where can I buy ethyl (4-bromophenyl)carbamothioylsulfanylformate?
You can request a quote for ethyl (4-bromophenyl)carbamothioylsulfanylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (4-bromophenyl)carbamothioylsulfanylformate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4-bromophenyl)carbamothioylsulfanylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.