2-(Isothiocyanatomethyl)thiophene
TL;DR: 2-(Isothiocyanatomethyl)thiophene (CAS 36810-92-1) is a chemical compound with molecular formula C6H5NS2 and molecular weight 154.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(isothiocyanatomethyl)thiophene
Also Known As: 2-(isothiocyanatomethyl)thiophene, 2-Isothiocyanatomethyl-thiophene, 2-Thenyl isothiocyanate, 2-Thienylmethyl isothiocyanate, Thiophene,2-(isothiocyanatomethyl)-
| Molecular Formula | C6H5NS2 |
|---|---|
| Molecular Weight | 154.99 g/mol |
| LogP | 2.3509 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.98634 |
| Heavy Atoms | 9 |
| Complexity | 208.97154 |
Chemical Identifiers
| CAS Number | 36810-92-1 |
|---|---|
| SMILES | C1=CSC(=C1)CN=C=S |
Product Overview
2-(Isothiocyanatomethyl)thiophene (CAS 36810-92-1), with molecular formula C6H5NS2 and molecular weight 154.99 g/mol. IUPAC: 2-(isothiocyanatomethyl)thiophene.
Chemical Property Profile of 2-(Isothiocyanatomethyl)thiophene
Property Insights of 2-(Isothiocyanatomethyl)thiophene
The XLogP value of 2.3509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isothiocyanatomethyl)thiophene. With a topological polar surface area (TPSA) of 12.36 Ų, 2-(Isothiocyanatomethyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isothiocyanatomethyl)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-(Isothiocyanatomethyl)thiophene?
The CAS number of 2-(Isothiocyanatomethyl)thiophene is 36810-92-1.
What is the molecular formula of 2-(Isothiocyanatomethyl)thiophene?
The molecular formula of 2-(Isothiocyanatomethyl)thiophene is C6H5NS2.
What is the molecular weight of 2-(Isothiocyanatomethyl)thiophene?
The molecular weight of 2-(Isothiocyanatomethyl)thiophene is 154.99 g/mol.
Where can I buy 2-(Isothiocyanatomethyl)thiophene?
You can request a quote for 2-(Isothiocyanatomethyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isothiocyanatomethyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isothiocyanatomethyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.