![[(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1) structure](/static/products/6279/6279-83-0.webp)
[(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1)
TL;DR: [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1) (CAS 6279-83-0) is a chemical compound with molecular formula C13H25NO3S2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxycarbothioylsulfanylacetic acid;cyclohexanamine
Also Known As: KST-1A6699, [(butoxycarbothioyl)sulfanyl]acetic acid- cyclohexanamine(1:1), 2-butoxycarbothioylsulfanylacetic acid; cyclohexanamine, [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1), [(Butoxycarbonothioyl)sulfanyl]acetic acid--cyclohexanamine (1/1)
| Molecular Formula | C13H25NO3S2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 3.1836 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.1276 |
| Heavy Atoms | 19 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 6279-83-0 |
|---|---|
| SMILES | CCCCOC(=S)SCC(=O)O.C1CCC(CC1)N |
| InChIKey | LYLIVWLRZYNNLA-UHFFFAOYSA-N |
Product Overview
[(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1) (CAS 6279-83-0), with molecular formula C13H25NO3S2 and molecular weight 307.13 g/mol. IUPAC: 2-butoxycarbothioylsulfanylacetic acid;cyclohexanamine.
Chemical Property Profile of [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1)
Property Insights of [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1)
The XLogP value of 3.1836 indicates that [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1). Following Lipinski's Rule of Five, [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1) has 2 hydrogen bond donor(s) and 6 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 [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1)?
The CAS number of [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1) is 6279-83-0.
What is the molecular formula of [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1)?
The molecular formula of [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1) is C13H25NO3S2.
What is the molecular weight of [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1)?
The molecular weight of [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1) is 307.13 g/mol.
Where can I buy [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1)?
You can request a quote for [(Butoxycarbothioyl)sulfanyl]acetic acid-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 [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1)?
Yes, KEHONG BIO provides custom synthesis services for [(Butoxycarbothioyl)sulfanyl]acetic acid-cyclohexanamine(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.