Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)
TL;DR: Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1) (CAS 109795-71-3) is a chemical compound with molecular formula C9H19NOS2 and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexanamine;3-sulfanylpropanethioic S-acid
Also Known As: Cyclohexyl beta-mercaptothiolpropionate, 3-Mercaptopropanethioic acid compd. with cyclohexanamine (1:1), cyclohexanamine; 3-sulfanylpropanethioic S-acid, cyclohexyl 3-sulfanyl-3-thiophen-2-ylpropanoate, Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)
| Molecular Formula | C9H19NOS2 |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 2.0405 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0908 |
| Heavy Atoms | 13 |
| Complexity | 135.57639 |
Chemical Identifiers
| CAS Number | 109795-71-3 |
|---|---|
| SMILES | C1CCC(CC1)N.C(CS)C(=O)S |
Product Overview
Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1) (CAS 109795-71-3), with molecular formula C9H19NOS2 and molecular weight 221.09 g/mol. IUPAC: cyclohexanamine;3-sulfanylpropanethioic S-acid.
Chemical Property Profile of Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)
Property Insights of Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)
The XLogP value of 2.0405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1). With a topological polar surface area (TPSA) of 43.09 Ų, Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1) has 3 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 Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)?
The CAS number of Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1) is 109795-71-3.
What is the molecular formula of Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)?
The molecular formula of Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1) is C9H19NOS2.
What is the molecular weight of Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)?
The molecular weight of Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1) is 221.09 g/mol.
Where can I buy Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)?
You can request a quote for Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.