Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester
TL;DR: Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester (CAS 19457-08-0) is a chemical compound with molecular formula C11H13NO2S2 and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl benzylcarbamothioylsulfanylformate
Also Known As: ethyl benzylcarbamothioylsulfanylformate, CARBONIC ACID, THIO-, ANHYDROSULFIDE with BENZYLDITHIOCARBAMIC ACID, ETHYL ESTER, Thiocarbonic acid anhydrosulfide with benzyldithiocarbamic acid ethyl ester, BRN 2653386, RefChem:333440
| Molecular Formula | C11H13NO2S2 |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | 2.9508 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.03877 |
| Heavy Atoms | 16 |
| Complexity | 354.26202 |
Chemical Identifiers
| CAS Number | 19457-08-0 |
|---|---|
| SMILES | CCOC(=O)SC(=S)NCC1=CC=CC=C1 |
Product Overview
Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester (CAS 19457-08-0), with molecular formula C11H13NO2S2 and molecular weight 255.04 g/mol. IUPAC: ethyl benzylcarbamothioylsulfanylformate.
Chemical Property Profile of Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester
Property Insights of Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester
The XLogP value of 2.9508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester 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 Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester?
The CAS number of Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester is 19457-08-0.
What is the molecular formula of Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester?
The molecular formula of Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester is C11H13NO2S2.
What is the molecular weight of Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester?
The molecular weight of Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester is 255.04 g/mol.
Where can I buy Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester?
You can request a quote for Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, thio-, anhydrosulfide with benzyldithiocarbamic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.