(5-methyl-1H-pyrrol-2-yl) thiocyanate
TL;DR: (5-methyl-1H-pyrrol-2-yl) thiocyanate (CAS 89418-02-0) is a chemical compound with molecular formula C6H6N2S and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-1H-pyrrol-2-yl) thiocyanate
Also Known As: (5-methyl-1H-pyrrol-2-yl) thiocyanate, 5-methyl-1H-pyrrol-2-yl thiocyanate, Thiocyanic acid,5-methyl-1H-pyrrol-2-yl ester, 2-Methyl-5-thiocyanato-1H-pyrrole, (5-methylpyrrol-2-yl)thiocarbonitrile
| Molecular Formula | C6H6N2S |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.8963 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.02516 |
| Heavy Atoms | 9 |
| Complexity | 233.45105 |
Chemical Identifiers
| CAS Number | 89418-02-0 |
|---|---|
| SMILES | CC1=CC=C(N1)SC#N |
Product Overview
(5-methyl-1H-pyrrol-2-yl) thiocyanate (CAS 89418-02-0), with molecular formula C6H6N2S and molecular weight 138.03 g/mol. IUPAC: (5-methyl-1H-pyrrol-2-yl) thiocyanate.
Chemical Property Profile of (5-methyl-1H-pyrrol-2-yl) thiocyanate
Property Insights of (5-methyl-1H-pyrrol-2-yl) thiocyanate
The XLogP value of 1.8963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-methyl-1H-pyrrol-2-yl) thiocyanate. With a topological polar surface area (TPSA) of 39.58 Ų, (5-methyl-1H-pyrrol-2-yl) thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-methyl-1H-pyrrol-2-yl) thiocyanate has 1 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 (5-methyl-1H-pyrrol-2-yl) thiocyanate?
The CAS number of (5-methyl-1H-pyrrol-2-yl) thiocyanate is 89418-02-0.
What is the molecular formula of (5-methyl-1H-pyrrol-2-yl) thiocyanate?
The molecular formula of (5-methyl-1H-pyrrol-2-yl) thiocyanate is C6H6N2S.
What is the molecular weight of (5-methyl-1H-pyrrol-2-yl) thiocyanate?
The molecular weight of (5-methyl-1H-pyrrol-2-yl) thiocyanate is 138.03 g/mol.
Where can I buy (5-methyl-1H-pyrrol-2-yl) thiocyanate?
You can request a quote for (5-methyl-1H-pyrrol-2-yl) thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-methyl-1H-pyrrol-2-yl) thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (5-methyl-1H-pyrrol-2-yl) thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.