N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide
TL;DR: N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide (CAS 37488-46-3) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(1H-pyrrole-2-carbothioyl)urea
Also Known As: 1-phenyl-3-(1H-pyrrole-2-carbothioyl)urea, N-(phenylcarbamoyl)-1H-pyrrole-2-carbothioamide, N-phenylcarbamoylpyrrole-2-thiocarboxamide, 1H-Pyrrole-2-carbothioamide, N-[(phenylamino)carbonyl]-, RefChem:362834
| Molecular Formula | C12H11N3OS |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 2.5119 |
| Topological Polar Surface Area | 56.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.06229 |
| Heavy Atoms | 17 |
| Complexity | 507.8117 |
Chemical Identifiers
| CAS Number | 37488-46-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC(=S)C2=CC=CN2 |
Product Overview
N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide (CAS 37488-46-3), with molecular formula C12H11N3OS and molecular weight 245.06 g/mol. IUPAC: 1-phenyl-3-(1H-pyrrole-2-carbothioyl)urea.
Chemical Property Profile of N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide
Property Insights of N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide
The XLogP value of 2.5119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide. With a topological polar surface area (TPSA) of 56.92 Ų, N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide has 3 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 N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide?
The CAS number of N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide is 37488-46-3.
What is the molecular formula of N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide?
The molecular formula of N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide is C12H11N3OS.
What is the molecular weight of N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide?
The molecular weight of N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide is 245.06 g/mol.
Where can I buy N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide?
You can request a quote for N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Phenylcarbamoyl)-1H-pyrrole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.