2-(3-Isothiocyanatopropyl)thiophene
TL;DR: 2-(3-Isothiocyanatopropyl)thiophene (CAS 65984-62-5) is a chemical compound with molecular formula C8H9NS2 and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-isothiocyanatopropyl)thiophene
Also Known As: 2-(3-Isothiocyanatopropyl)thiophene, THIENYLPROPYL ISOTHIOCYANATE, 2-(3-isothiocyanato-propyl)-thiophene
| Molecular Formula | C8H9NS2 |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.01764 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 65984-62-5 |
|---|---|
| SMILES | C1=CSC(=C1)CCCN=C=S |
| InChIKey | UGPSUVKFPYGFQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Isothiocyanatopropyl)thiophene (CAS 65984-62-5), with molecular formula C8H9NS2 and molecular weight 183.02 g/mol. IUPAC: 2-(3-isothiocyanatopropyl)thiophene.
Chemical Property Profile of 2-(3-Isothiocyanatopropyl)thiophene
Property Insights of 2-(3-Isothiocyanatopropyl)thiophene
The XLogP value of 3.6 indicates that 2-(3-Isothiocyanatopropyl)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Isothiocyanatopropyl)thiophene. Following Lipinski's Rule of Five, 2-(3-Isothiocyanatopropyl)thiophene has 0 hydrogen bond donor(s) and 3 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-(3-Isothiocyanatopropyl)thiophene?
The CAS number of 2-(3-Isothiocyanatopropyl)thiophene is 65984-62-5.
What is the molecular formula of 2-(3-Isothiocyanatopropyl)thiophene?
The molecular formula of 2-(3-Isothiocyanatopropyl)thiophene is C8H9NS2.
What is the molecular weight of 2-(3-Isothiocyanatopropyl)thiophene?
The molecular weight of 2-(3-Isothiocyanatopropyl)thiophene is 183.02 g/mol.
Where can I buy 2-(3-Isothiocyanatopropyl)thiophene?
You can request a quote for 2-(3-Isothiocyanatopropyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Isothiocyanatopropyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Isothiocyanatopropyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.