Thien-2-ylmethylcarbamodithioic acid
TL;DR: Thien-2-ylmethylcarbamodithioic acid (CAS 59754-42-6) is a chemical compound with molecular formula C6H7NS3 and molecular weight 188.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophen-2-ylmethylcarbamodithioic acid
Also Known As: Thien-2-ylmethylcarbamodithioic acid, thiophen-2-ylmethylcarbamodithioic acid, N-(2-thienylmethyl)carbamodithioic acid, [(2-thienylmethyl)amino]methanedithioic acid, [sulfanyl(carbonothioyl)](thiophen-2-ylmethyl)amine
| Molecular Formula | C6H7NS3 |
|---|---|
| Molecular Weight | 188.97 g/mol |
| LogP | 2.0524 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.97406 |
| Heavy Atoms | 10 |
| Complexity | 204.77733 |
Chemical Identifiers
| CAS Number | 59754-42-6 |
|---|---|
| SMILES | C1=CSC(=C1)CNC(=S)S |
Product Overview
Thien-2-ylmethylcarbamodithioic acid (CAS 59754-42-6), with molecular formula C6H7NS3 and molecular weight 188.97 g/mol. IUPAC: thiophen-2-ylmethylcarbamodithioic acid.
Chemical Property Profile of Thien-2-ylmethylcarbamodithioic acid
Property Insights of Thien-2-ylmethylcarbamodithioic acid
The XLogP value of 2.0524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thien-2-ylmethylcarbamodithioic acid. With a topological polar surface area (TPSA) of 12.03 Ų, Thien-2-ylmethylcarbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thien-2-ylmethylcarbamodithioic acid has 2 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 Thien-2-ylmethylcarbamodithioic acid?
The CAS number of Thien-2-ylmethylcarbamodithioic acid is 59754-42-6.
What is the molecular formula of Thien-2-ylmethylcarbamodithioic acid?
The molecular formula of Thien-2-ylmethylcarbamodithioic acid is C6H7NS3.
What is the molecular weight of Thien-2-ylmethylcarbamodithioic acid?
The molecular weight of Thien-2-ylmethylcarbamodithioic acid is 188.97 g/mol.
Where can I buy Thien-2-ylmethylcarbamodithioic acid?
You can request a quote for Thien-2-ylmethylcarbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thien-2-ylmethylcarbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for Thien-2-ylmethylcarbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.