3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide
TL;DR: 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide (CAS 175276-79-6) 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.
3-pyrrol-1-ylbenzenecarbothioamide
Also Known As: 3-pyrrol-1-ylbenzenecarbothioamide, 3-(1h-pyrrol-1-yl)benzene-1-carbothioamide, 3-(1H-Pyrrol-1-yl)benzothioamide, 3-(Pyrrol-1-yl)thiobenzamide, 3-(1H-Pyrrol-1-yl)benzenecarbothioamide
| 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 | 175276-79-6 |
|---|---|
| SMILES | C1=CN(C=C1)C2=CC=CC(=C2)C(=S)N |
Product Overview
3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide (CAS 175276-79-6), with molecular formula C11H10N2S and molecular weight 202.06 g/mol. IUPAC: 3-pyrrol-1-ylbenzenecarbothioamide.
Chemical Property Profile of 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide
Property Insights of 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide
The XLogP value of 2.1115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide. With a topological polar surface area (TPSA) of 30.95 Ų, 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide 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 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide?
The CAS number of 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide is 175276-79-6.
What is the molecular formula of 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide?
The molecular formula of 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide is C11H10N2S.
What is the molecular weight of 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide?
The molecular weight of 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide is 202.06 g/mol.
Where can I buy 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide?
You can request a quote for 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.