Thiophamine
TL;DR: Thiophamine (CAS 27079-29-4) is a chemical compound with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(2-aminophenyl)carbamothioyl]carbamate
Also Known As: Thiophamine, Methyl [(2-aminophenyl)carbamothioyl]carbamate, 2- aniline, 2-(3-methoxycarbonylthioureido)aniline, NF 48
| Molecular Formula | C9H11N3O2S |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 1.3216 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.0572 |
| Heavy Atoms | 15 |
| Complexity | 381.37512 |
Chemical Identifiers
| CAS Number | 27079-29-4 |
|---|---|
| SMILES | COC(=O)NC(=S)NC1=CC=CC=C1N |
Product Overview
Thiophamine (CAS 27079-29-4), with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol. IUPAC: methyl N-[(2-aminophenyl)carbamothioyl]carbamate.
Chemical Property Profile of Thiophamine
Property Insights of Thiophamine
The XLogP value of 1.3216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophamine. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophamine. Following Lipinski's Rule of Five, Thiophamine has 3 hydrogen bond donor(s) and 4 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 Thiophamine?
The CAS number of Thiophamine is 27079-29-4.
What is the molecular formula of Thiophamine?
The molecular formula of Thiophamine is C9H11N3O2S.
What is the molecular weight of Thiophamine?
The molecular weight of Thiophamine is 225.06 g/mol.
Where can I buy Thiophamine?
You can request a quote for Thiophamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophamine?
Yes, KEHONG BIO provides custom synthesis services for Thiophamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.