Butan-2-ylcarbamodithioic acid
TL;DR: Butan-2-ylcarbamodithioic acid (CAS 44647-53-2) is a chemical compound with molecular formula C5H11NS2 and molecular weight 149.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-ylcarbamodithioic acid
Also Known As: sec-butyl-dithiocarbamic acid, butan-2-ylcarbamodithioic acid, (butan-2-ylamino)methanedithioic Acid
| Molecular Formula | C5H11NS2 |
|---|---|
| Molecular Weight | 149.03 g/mol |
| LogP | 1.5892 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.0333 |
| Heavy Atoms | 8 |
| Complexity | 82.497856 |
Chemical Identifiers
| CAS Number | 44647-53-2 |
|---|---|
| SMILES | CCC(C)NC(=S)S |
Product Overview
Butan-2-ylcarbamodithioic acid (CAS 44647-53-2), with molecular formula C5H11NS2 and molecular weight 149.03 g/mol. IUPAC: butan-2-ylcarbamodithioic acid.
Chemical Property Profile of Butan-2-ylcarbamodithioic acid
Property Insights of Butan-2-ylcarbamodithioic acid
The XLogP value of 1.5892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-ylcarbamodithioic acid. With a topological polar surface area (TPSA) of 12.03 Ų, Butan-2-ylcarbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-ylcarbamodithioic acid has 2 hydrogen bond donor(s) and 1 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 Butan-2-ylcarbamodithioic acid?
The CAS number of Butan-2-ylcarbamodithioic acid is 44647-53-2.
What is the molecular formula of Butan-2-ylcarbamodithioic acid?
The molecular formula of Butan-2-ylcarbamodithioic acid is C5H11NS2.
What is the molecular weight of Butan-2-ylcarbamodithioic acid?
The molecular weight of Butan-2-ylcarbamodithioic acid is 149.03 g/mol.
Where can I buy Butan-2-ylcarbamodithioic acid?
You can request a quote for Butan-2-ylcarbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-ylcarbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-ylcarbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.