甲基-(2,3,4,5,6-五羟基己基)二硫代氨基甲酸
TL;DR: 甲基-(2,3,4,5,6-五羟基己基)二硫代氨基甲酸 (CAS 94161-07-6) is a chemical compound with molecular formula C8H17NO5S2 and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基-(2,3,4,5,6-五羟基己基)二硫代氨基甲酸
methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid
Also Known As: Hepoxilin A, MDCG, N-methyl-N-dithiocarboxyglucamine, N-Methyl-D-glucamine dithiocarbamate, J1.010.079H
| Molecular Formula | C8H17NO5S2 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.0548 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 94161-07-6 |
|---|---|
| SMILES | CN(CC(C(C(C(CO)O)O)O)O)C(=S)S |
| InChIKey | IBVJFULICYLKCE-UHFFFAOYSA-N |
Product Overview
甲基-(2,3,4,5,6-五羟基己基)二硫代氨基甲酸 (CAS 94161-07-6), with molecular formula C8H17NO5S2 and molecular weight 271.05 g/mol. IUPAC: methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid.
Chemical Property Profile of 甲基-(2,3,4,5,6-五羟基己基)二硫代氨基甲酸
Property Insights of 甲基-(2,3,4,5,6-五羟基己基)二硫代氨基甲酸
The XLogP value of -2.2 indicates that 甲基-(2,3,4,5,6-五羟基己基)二硫代氨基甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲基-(2,3,4,5,6-五羟基己基)二硫代氨基甲酸. Following Lipinski's Rule of Five, Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid?
The CAS number of Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid is 94161-07-6.
What is the molecular formula of Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid?
The molecular formula of Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid is C8H17NO5S2.
What is the molecular weight of Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid?
The molecular weight of Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid is 271.05 g/mol.
Where can I buy Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid?
You can request a quote for Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.