s-Phenyl dipropylcarbamothioate
TL;DR: s-Phenyl dipropylcarbamothioate (CAS 6302-46-1) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl N,N-dipropylcarbamothioate
Also Known As: s-phenyl dipropylcarbamothioate, Benzenethiol, dipropylcarbamate, S-phenyl N,N-dipropylcarbamothioate, 1-phenylsulfanyl-N,N-dipropyl-formamide, Carbamothioic acid, dipropyl-, S-phenyl ester
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.11873 |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 6302-46-1 |
|---|---|
| SMILES | CCCN(CCC)C(=O)SC1=CC=CC=C1 |
| InChIKey | KPKRCJPLILPUFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-Phenyl dipropylcarbamothioate (CAS 6302-46-1), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: S-phenyl N,N-dipropylcarbamothioate.
Chemical Property Profile of s-Phenyl dipropylcarbamothioate
Property Insights of s-Phenyl dipropylcarbamothioate
The XLogP value of 4.0 indicates that s-Phenyl dipropylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, s-Phenyl dipropylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Phenyl dipropylcarbamothioate has 0 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 s-Phenyl dipropylcarbamothioate?
The CAS number of s-Phenyl dipropylcarbamothioate is 6302-46-1.
What is the molecular formula of s-Phenyl dipropylcarbamothioate?
The molecular formula of s-Phenyl dipropylcarbamothioate is C13H19NOS.
What is the molecular weight of s-Phenyl dipropylcarbamothioate?
The molecular weight of s-Phenyl dipropylcarbamothioate is 237.12 g/mol.
Where can I buy s-Phenyl dipropylcarbamothioate?
You can request a quote for s-Phenyl dipropylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Phenyl dipropylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for s-Phenyl dipropylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.