4-Butylcyclohexane-1-carbothioamide
TL;DR: 4-Butylcyclohexane-1-carbothioamide (CAS 313371-76-5) is a chemical compound with molecular formula C11H21NS and molecular weight 199.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butylcyclohexane-1-carbothioamide
Also Known As: Cyclohexanecarbothioamide,4-butyl-, 4-butylcyclohexane-1-carbothioamide, Cyclohexanecarbothioamide, 4-butyl- (9CI)
| Molecular Formula | C11H21NS |
|---|---|
| Molecular Weight | 199.14 g/mol |
| LogP | 3.2691 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.13947 |
| Heavy Atoms | 13 |
| Complexity | 159.47322 |
Chemical Identifiers
| CAS Number | 313371-76-5 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=S)N |
Product Overview
4-Butylcyclohexane-1-carbothioamide (CAS 313371-76-5), with molecular formula C11H21NS and molecular weight 199.14 g/mol. IUPAC: 4-butylcyclohexane-1-carbothioamide.
Chemical Property Profile of 4-Butylcyclohexane-1-carbothioamide
Property Insights of 4-Butylcyclohexane-1-carbothioamide
The XLogP value of 3.2691 indicates that 4-Butylcyclohexane-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 4-Butylcyclohexane-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butylcyclohexane-1-carbothioamide has 1 hydrogen bond donor(s) and 1 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 4-Butylcyclohexane-1-carbothioamide?
The CAS number of 4-Butylcyclohexane-1-carbothioamide is 313371-76-5.
What is the molecular formula of 4-Butylcyclohexane-1-carbothioamide?
The molecular formula of 4-Butylcyclohexane-1-carbothioamide is C11H21NS.
What is the molecular weight of 4-Butylcyclohexane-1-carbothioamide?
The molecular weight of 4-Butylcyclohexane-1-carbothioamide is 199.14 g/mol.
Where can I buy 4-Butylcyclohexane-1-carbothioamide?
You can request a quote for 4-Butylcyclohexane-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butylcyclohexane-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Butylcyclohexane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.