Carbamodithioic acid, cyclohexylmethyl-, sodium salt
TL;DR: Carbamodithioic acid, cyclohexylmethyl-, sodium salt (CAS 77100-49-3) is a chemical compound with molecular formula C8H15NNaS2+ and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium cyclohexyl(methyl)carbamodithioic acid
Also Known As: Sodium cyclohexylmethyldiothiocarbamate, sodium cyclohexyl(methyl)carbamodithioic acid, sodium,cyclohexyl(methyl)carbamodithioic acid, Carbamodithioic acid, cyclohexylmethyl-, sodium salt, sodium (cyclohexyl-methylamino)methanedithioic acid
| Molecular Formula | C8H15NNaS2+ |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | -0.5304 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.05437 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 77100-49-3 |
|---|---|
| SMILES | CN(C1CCCCC1)C(=S)S.[Na+] |
| InChIKey | XDUJLWKIAVPQDH-UHFFFAOYSA-N |
Product Overview
Carbamodithioic acid, cyclohexylmethyl-, sodium salt (CAS 77100-49-3), with molecular formula C8H15NNaS2+ and molecular weight 212.05 g/mol. IUPAC: sodium cyclohexyl(methyl)carbamodithioic acid.
Chemical Property Profile of Carbamodithioic acid, cyclohexylmethyl-, sodium salt
Property Insights of Carbamodithioic acid, cyclohexylmethyl-, sodium salt
The XLogP value of -0.5304 indicates that Carbamodithioic acid, cyclohexylmethyl-, sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.3 Ų, Carbamodithioic acid, cyclohexylmethyl-, sodium salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, cyclohexylmethyl-, sodium salt has 1 hydrogen bond donor(s) and 2 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 Carbamodithioic acid, cyclohexylmethyl-, sodium salt?
The CAS number of Carbamodithioic acid, cyclohexylmethyl-, sodium salt is 77100-49-3.
What is the molecular formula of Carbamodithioic acid, cyclohexylmethyl-, sodium salt?
The molecular formula of Carbamodithioic acid, cyclohexylmethyl-, sodium salt is C8H15NNaS2+.
What is the molecular weight of Carbamodithioic acid, cyclohexylmethyl-, sodium salt?
The molecular weight of Carbamodithioic acid, cyclohexylmethyl-, sodium salt is 212.05 g/mol.
Where can I buy Carbamodithioic acid, cyclohexylmethyl-, sodium salt?
You can request a quote for Carbamodithioic acid, cyclohexylmethyl-, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, cyclohexylmethyl-, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, cyclohexylmethyl-, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.