Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester
TL;DR: Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester (CAS 96009-59-5) is a chemical compound with molecular formula C14H21NOS and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-(2,2-dimethyl-3-phenylpropyl)carbamothioate
Also Known As: Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester, S-Ethyl (2,2-dimethyl-3-phenylpropyl)carbamothioate, S-ethyl N-(2,2-dimethyl-3-phenylpropyl)carbamothioate, N-(2,2-dimethyl-3-phenyl-propyl)-1-ethylsulfanyl-formamide
| Molecular Formula | C14H21NOS |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.13438 |
| Heavy Atoms | 17 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 96009-59-5 |
|---|---|
| SMILES | CCSC(=O)NCC(C)(C)CC1=CC=CC=C1 |
| InChIKey | FTBSLXAVBCFNEW-UHFFFAOYSA-N |
Product Overview
Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester (CAS 96009-59-5), with molecular formula C14H21NOS and molecular weight 251.13 g/mol. IUPAC: S-ethyl N-(2,2-dimethyl-3-phenylpropyl)carbamothioate.
Chemical Property Profile of Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester
Property Insights of Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester
The XLogP value of 4.0 indicates that Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester has 1 hydrogen bond donor(s) and 2 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 Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester?
The CAS number of Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester is 96009-59-5.
What is the molecular formula of Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester?
The molecular formula of Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester is C14H21NOS.
What is the molecular weight of Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester?
The molecular weight of Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester is 251.13 g/mol.
Where can I buy Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester?
You can request a quote for Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (2,2-dimethyl-3-phenylpropyl)-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.