Isothiocyanatoethene
TL;DR: Isothiocyanatoethene (CAS 1520-22-5) is a chemical compound with molecular formula C3H3NS and molecular weight 85.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isothiocyanatoethene
Also Known As: isothiocyanatoethene, vinyl isothiocyanate, vinyl isothiocyanide, Ethene, isothiocyanato-, 1-Isothiocyanatoethylene
| Molecular Formula | C3H3NS |
|---|---|
| Molecular Weight | 85.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.99862 |
| Heavy Atoms | 5 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 1520-22-5 |
|---|---|
| SMILES | C=CN=C=S |
| InChIKey | VJCLZQUHGQSTMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isothiocyanatoethene (CAS 1520-22-5), with molecular formula C3H3NS and molecular weight 85.00 g/mol. IUPAC: isothiocyanatoethene.
Chemical Property Profile of Isothiocyanatoethene
Property Insights of Isothiocyanatoethene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiocyanatoethene. With a topological polar surface area (TPSA) of 44.5 Ų, Isothiocyanatoethene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiocyanatoethene has 0 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 Isothiocyanatoethene?
The CAS number of Isothiocyanatoethene is 1520-22-5.
What is the molecular formula of Isothiocyanatoethene?
The molecular formula of Isothiocyanatoethene is C3H3NS.
What is the molecular weight of Isothiocyanatoethene?
The molecular weight of Isothiocyanatoethene is 85.00 g/mol.
Where can I buy Isothiocyanatoethene?
You can request a quote for Isothiocyanatoethene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothiocyanatoethene?
Yes, KEHONG BIO provides custom synthesis services for Isothiocyanatoethene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.