2-(Pyrrol-1-yl)thiobenzamide
TL;DR: 2-(Pyrrol-1-yl)thiobenzamide (CAS 175277-82-4) is a chemical compound with molecular formula C11H10N2S and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrol-1-ylbenzenecarbothioamide
Also Known As: 2-(pyrrol-1-yl)thiobenzamide, 2-pyrrol-1-yl-thiobenzamide, 2-pyrrol-1-ylbenzenecarbothioamide, 2-(1H-Pyrrol-1-yl)benzothioamide, 2-(1H-pyrrol-1-yl)benzene-1-carbothioamide
| Molecular Formula | C11H10N2S |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.1115 |
| Topological Polar Surface Area | 30.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.05647 |
| Heavy Atoms | 14 |
| Complexity | 446.07092 |
Chemical Identifiers
| CAS Number | 175277-82-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=S)N)N2C=CC=C2 |
Product Overview
2-(Pyrrol-1-yl)thiobenzamide (CAS 175277-82-4), with molecular formula C11H10N2S and molecular weight 202.06 g/mol. IUPAC: 2-pyrrol-1-ylbenzenecarbothioamide.
Chemical Property Profile of 2-(Pyrrol-1-yl)thiobenzamide
Property Insights of 2-(Pyrrol-1-yl)thiobenzamide
The XLogP value of 2.1115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyrrol-1-yl)thiobenzamide. With a topological polar surface area (TPSA) of 30.95 Ų, 2-(Pyrrol-1-yl)thiobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyrrol-1-yl)thiobenzamide has 1 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 2-(Pyrrol-1-yl)thiobenzamide?
The CAS number of 2-(Pyrrol-1-yl)thiobenzamide is 175277-82-4.
What is the molecular formula of 2-(Pyrrol-1-yl)thiobenzamide?
The molecular formula of 2-(Pyrrol-1-yl)thiobenzamide is C11H10N2S.
What is the molecular weight of 2-(Pyrrol-1-yl)thiobenzamide?
The molecular weight of 2-(Pyrrol-1-yl)thiobenzamide is 202.06 g/mol.
Where can I buy 2-(Pyrrol-1-yl)thiobenzamide?
You can request a quote for 2-(Pyrrol-1-yl)thiobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pyrrol-1-yl)thiobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyrrol-1-yl)thiobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.