2-(Isocyanomethyl)thiophene
TL;DR: 2-(Isocyanomethyl)thiophene (CAS 99623-05-9) is a chemical compound with molecular formula C6H5NS and molecular weight 123.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(isocyanomethyl)thiophene
Also Known As: 2-(isocyanomethyl)thiophene, 2-isocyanomethylthiophene, 2-Thienylmethyl isocyanide, Thiophene, 2-(isocyanomethyl)-, J3.599.910H
| Molecular Formula | C6H5NS |
|---|---|
| Molecular Weight | 123.01 g/mol |
| LogP | 2.16739 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.01427 |
| Heavy Atoms | 8 |
| Complexity | 182.79349 |
Chemical Identifiers
| CAS Number | 99623-05-9 |
|---|---|
| SMILES | [C-]#[N+]CC1=CC=CS1 |
Product Overview
2-(Isocyanomethyl)thiophene (CAS 99623-05-9), with molecular formula C6H5NS and molecular weight 123.01 g/mol. IUPAC: 2-(isocyanomethyl)thiophene.
Chemical Property Profile of 2-(Isocyanomethyl)thiophene
Property Insights of 2-(Isocyanomethyl)thiophene
The XLogP value of 2.16739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isocyanomethyl)thiophene. With a topological polar surface area (TPSA) of 4.36 Ų, 2-(Isocyanomethyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isocyanomethyl)thiophene has 0 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-(Isocyanomethyl)thiophene?
The CAS number of 2-(Isocyanomethyl)thiophene is 99623-05-9.
What is the molecular formula of 2-(Isocyanomethyl)thiophene?
The molecular formula of 2-(Isocyanomethyl)thiophene is C6H5NS.
What is the molecular weight of 2-(Isocyanomethyl)thiophene?
The molecular weight of 2-(Isocyanomethyl)thiophene is 123.01 g/mol.
Where can I buy 2-(Isocyanomethyl)thiophene?
You can request a quote for 2-(Isocyanomethyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isocyanomethyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isocyanomethyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.