Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid
TL;DR: Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid (CAS 94161-07-6) is a chemical compound with molecular formula C8H17NO5S2 and molecular weight 271.0548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C8H17NO5S2 |
| Molecular Weight | 271.0548 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.0548 Da |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
| SMILES | CN(CC(C(C(C(CO)O)O)O)O)C(=S)S |
| InChIKey | IBVJFULICYLKCE-UHFFFAOYSA-N |
Product Description
Applications: Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid (CAS 94161-07-6) is a fine chemical with the molecular formula C8H17NO5S2 and a molecular weight of 271.05 g/mol. Synonyms include Hepoxilin A and MDCG.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid
Property Insights of Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid
The XLogP value of -2.2 indicates that Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid 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 Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid. 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
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 271.0548 g/mol.
What are the applications of Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid?
Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid?
Yes, CoreyChem 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.