bis-(1H-pyrrol-2-yl)-methanethione
TL;DR: bis-(1H-pyrrol-2-yl)-methanethione (CAS 21401-55-8) is a chemical compound with molecular formula C9H8N2S and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1H-pyrrol-2-yl)methanethione
Also Known As: 5-dipyrrylthione, Pyrrol-2-ylthione, bis-(1H-pyrrol-2-yl)-methanethione, Bis(1H-pyrrol-2-yl)methanethione, Di-(2-pyrryl)thioketone
| Molecular Formula | C9H8N2S |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 2.1091 |
| Topological Polar Surface Area | 31.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.04082 |
| Heavy Atoms | 12 |
| Complexity | 322.9037 |
Chemical Identifiers
| CAS Number | 21401-55-8 |
|---|---|
| SMILES | C1=CNC(=C1)C(=S)C2=CC=CN2 |
Product Overview
bis-(1H-pyrrol-2-yl)-methanethione (CAS 21401-55-8), with molecular formula C9H8N2S and molecular weight 176.04 g/mol. IUPAC: bis(1H-pyrrol-2-yl)methanethione.
Chemical Property Profile of bis-(1H-pyrrol-2-yl)-methanethione
Property Insights of bis-(1H-pyrrol-2-yl)-methanethione
The XLogP value of 2.1091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bis-(1H-pyrrol-2-yl)-methanethione. With a topological polar surface area (TPSA) of 31.58 Ų, bis-(1H-pyrrol-2-yl)-methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, bis-(1H-pyrrol-2-yl)-methanethione has 2 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 bis-(1H-pyrrol-2-yl)-methanethione?
The CAS number of bis-(1H-pyrrol-2-yl)-methanethione is 21401-55-8.
What is the molecular formula of bis-(1H-pyrrol-2-yl)-methanethione?
The molecular formula of bis-(1H-pyrrol-2-yl)-methanethione is C9H8N2S.
What is the molecular weight of bis-(1H-pyrrol-2-yl)-methanethione?
The molecular weight of bis-(1H-pyrrol-2-yl)-methanethione is 176.04 g/mol.
Where can I buy bis-(1H-pyrrol-2-yl)-methanethione?
You can request a quote for bis-(1H-pyrrol-2-yl)-methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bis-(1H-pyrrol-2-yl)-methanethione?
Yes, KEHONG BIO provides custom synthesis services for bis-(1H-pyrrol-2-yl)-methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.