But-2-yne-1,4-diyl bis(dimethylcarbamodithioate)
TL;DR: But-2-yne-1,4-diyl bis(dimethylcarbamodithioate) (CAS 63580-26-7) is a chemical compound with molecular formula C10H16N2S4 and molecular weight 292.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylcarbamothioylsulfanyl)but-2-ynyl N,N-dimethylcarbamodithioate
Also Known As: 1,4-Bis(dimethyldithiocarbamoyl)but-2-yne, 2-(dimethylamino)ethyl phenyl carbonate, but-2-yne-1,4-diyl bis(dimethylcarbamodithioate), Bis(N,N-dimethyldithiocarbamic acid) 2-butynylene ester, CARBAMIC ACID, BIS(N,N-DIMETHYLDITHIO-, 2-BUTYNYLENE ESTER
| Molecular Formula | C10H16N2S4 |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.01962 |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 63580-26-7 |
|---|---|
| SMILES | CN(C)C(=S)SCC#CCSC(=S)N(C)C |
| InChIKey | ZZKMEFLNROQYQS-UHFFFAOYSA-N |
Product Overview
But-2-yne-1,4-diyl bis(dimethylcarbamodithioate) (CAS 63580-26-7), with molecular formula C10H16N2S4 and molecular weight 292.02 g/mol. IUPAC: 4-(dimethylcarbamothioylsulfanyl)but-2-ynyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of But-2-yne-1,4-diyl bis(dimethylcarbamodithioate)
Property Insights of But-2-yne-1,4-diyl bis(dimethylcarbamodithioate)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-yne-1,4-diyl bis(dimethylcarbamodithioate). The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-yne-1,4-diyl bis(dimethylcarbamodithioate). Following Lipinski's Rule of Five, But-2-yne-1,4-diyl bis(dimethylcarbamodithioate) has 0 hydrogen bond donor(s) and 4 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 But-2-yne-1,4-diyl bis(dimethylcarbamodithioate)?
The CAS number of But-2-yne-1,4-diyl bis(dimethylcarbamodithioate) is 63580-26-7.
What is the molecular formula of But-2-yne-1,4-diyl bis(dimethylcarbamodithioate)?
The molecular formula of But-2-yne-1,4-diyl bis(dimethylcarbamodithioate) is C10H16N2S4.
What is the molecular weight of But-2-yne-1,4-diyl bis(dimethylcarbamodithioate)?
The molecular weight of But-2-yne-1,4-diyl bis(dimethylcarbamodithioate) is 292.02 g/mol.
Where can I buy But-2-yne-1,4-diyl bis(dimethylcarbamodithioate)?
You can request a quote for But-2-yne-1,4-diyl bis(dimethylcarbamodithioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-yne-1,4-diyl bis(dimethylcarbamodithioate)?
Yes, KEHONG BIO provides custom synthesis services for But-2-yne-1,4-diyl bis(dimethylcarbamodithioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.