N-hexylsulfanylcarbonylacetamide
TL;DR: N-hexylsulfanylcarbonylacetamide (CAS 58376-99-1) is a chemical compound with molecular formula C9H17NO2S and molecular weight 203.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-hexyl N-acetylcarbamothioate
Also Known As: N-hexylsulfanylcarbonylacetamide, S-hexyl N-acetylcarbamothioate, S-Hexyl acetylcarbamothioate
| Molecular Formula | C9H17NO2S |
|---|---|
| Molecular Weight | 203.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.098 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 58376-99-1 |
|---|---|
| SMILES | CCCCCCSC(=O)NC(=O)C |
| InChIKey | PGRMABFWBBXCPR-UHFFFAOYSA-N |
Product Overview
N-hexylsulfanylcarbonylacetamide (CAS 58376-99-1), with molecular formula C9H17NO2S and molecular weight 203.10 g/mol. IUPAC: S-hexyl N-acetylcarbamothioate.
Chemical Property Profile of N-hexylsulfanylcarbonylacetamide
Property Insights of N-hexylsulfanylcarbonylacetamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-hexylsulfanylcarbonylacetamide. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-hexylsulfanylcarbonylacetamide. Following Lipinski's Rule of Five, N-hexylsulfanylcarbonylacetamide has 1 hydrogen bond donor(s) and 3 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 N-hexylsulfanylcarbonylacetamide?
The CAS number of N-hexylsulfanylcarbonylacetamide is 58376-99-1.
What is the molecular formula of N-hexylsulfanylcarbonylacetamide?
The molecular formula of N-hexylsulfanylcarbonylacetamide is C9H17NO2S.
What is the molecular weight of N-hexylsulfanylcarbonylacetamide?
The molecular weight of N-hexylsulfanylcarbonylacetamide is 203.10 g/mol.
Where can I buy N-hexylsulfanylcarbonylacetamide?
You can request a quote for N-hexylsulfanylcarbonylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-hexylsulfanylcarbonylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-hexylsulfanylcarbonylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.