Carbamothioic acid, (phenylmethyl)-, S-ethyl ester
TL;DR: Carbamothioic acid, (phenylmethyl)-, S-ethyl ester (CAS 36069-85-9) is a chemical compound with molecular formula C10H13NOS and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-benzylcarbamothioate
Also Known As: S-ethyl N-benzylcarbamothioate, S-ethyl benzylcarbamothioate, Maybridge3_002852, S-Ethyl (phenylmethyl)carbamothioate, Carbamothioic acid, (phenylmethyl)-, S-ethyl ester
| Molecular Formula | C10H13NOS |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 2.6493 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0718 |
| Heavy Atoms | 13 |
| Complexity | 260.8871 |
Chemical Identifiers
| CAS Number | 36069-85-9 |
|---|---|
| SMILES | CCSC(=O)NCC1=CC=CC=C1 |
Product Overview
Carbamothioic acid, (phenylmethyl)-, S-ethyl ester (CAS 36069-85-9), with molecular formula C10H13NOS and molecular weight 195.07 g/mol. IUPAC: S-ethyl N-benzylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, (phenylmethyl)-, S-ethyl ester
Property Insights of Carbamothioic acid, (phenylmethyl)-, S-ethyl ester
The XLogP value of 2.6493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, (phenylmethyl)-, S-ethyl ester. With a topological polar surface area (TPSA) of 29.1 Ų, Carbamothioic acid, (phenylmethyl)-, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, (phenylmethyl)-, 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, (phenylmethyl)-, S-ethyl ester?
The CAS number of Carbamothioic acid, (phenylmethyl)-, S-ethyl ester is 36069-85-9.
What is the molecular formula of Carbamothioic acid, (phenylmethyl)-, S-ethyl ester?
The molecular formula of Carbamothioic acid, (phenylmethyl)-, S-ethyl ester is C10H13NOS.
What is the molecular weight of Carbamothioic acid, (phenylmethyl)-, S-ethyl ester?
The molecular weight of Carbamothioic acid, (phenylmethyl)-, S-ethyl ester is 195.07 g/mol.
Where can I buy Carbamothioic acid, (phenylmethyl)-, S-ethyl ester?
You can request a quote for Carbamothioic acid, (phenylmethyl)-, 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, (phenylmethyl)-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (phenylmethyl)-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.