2-Chloro-5-(isocyanomethyl)thiophene
TL;DR: 2-Chloro-5-(isocyanomethyl)thiophene (CAS 602268-89-3) is a chemical compound with molecular formula C6H4ClNS and molecular weight 156.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-(isocyanomethyl)thiophene
Also Known As: 2-chloro-5-(isocyanomethyl)thiophene, Thiophene, 2-chloro-5-(isocyanomethyl)-
| Molecular Formula | C6H4ClNS |
|---|---|
| Molecular Weight | 156.98 g/mol |
| LogP | 2.82079 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.9753 |
| Heavy Atoms | 9 |
| Complexity | 235.45105 |
Chemical Identifiers
| CAS Number | 602268-89-3 |
|---|---|
| SMILES | [C-]#[N+]CC1=CC=C(S1)Cl |
Product Overview
2-Chloro-5-(isocyanomethyl)thiophene (CAS 602268-89-3), with molecular formula C6H4ClNS and molecular weight 156.98 g/mol. IUPAC: 2-chloro-5-(isocyanomethyl)thiophene.
Chemical Property Profile of 2-Chloro-5-(isocyanomethyl)thiophene
Property Insights of 2-Chloro-5-(isocyanomethyl)thiophene
The XLogP value of 2.82079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-(isocyanomethyl)thiophene. With a topological polar surface area (TPSA) of 4.36 Ų, 2-Chloro-5-(isocyanomethyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-(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-Chloro-5-(isocyanomethyl)thiophene?
The CAS number of 2-Chloro-5-(isocyanomethyl)thiophene is 602268-89-3.
What is the molecular formula of 2-Chloro-5-(isocyanomethyl)thiophene?
The molecular formula of 2-Chloro-5-(isocyanomethyl)thiophene is C6H4ClNS.
What is the molecular weight of 2-Chloro-5-(isocyanomethyl)thiophene?
The molecular weight of 2-Chloro-5-(isocyanomethyl)thiophene is 156.98 g/mol.
Where can I buy 2-Chloro-5-(isocyanomethyl)thiophene?
You can request a quote for 2-Chloro-5-(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-Chloro-5-(isocyanomethyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(isocyanomethyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.