1,2-Diisothiocyanatoethane
TL;DR: 1,2-Diisothiocyanatoethane (CAS 3688-08-2) is a chemical compound with molecular formula C4H4N2S2 and molecular weight 143.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diisothiocyanatoethane
Also Known As: 1,2-Diisothiocyanatoethane, Ethylenebis(isothiocyanate), EBIS, Senfol [German], Aethylsenfoel
| Molecular Formula | C4H4N2S2 |
|---|---|
| Molecular Weight | 143.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.9816 |
| Heavy Atoms | 8 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 3688-08-2 |
|---|---|
| SMILES | C(CN=C=S)N=C=S |
| InChIKey | KVUYSIIZYQUVMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Diisothiocyanatoethane (CAS 3688-08-2), with molecular formula C4H4N2S2 and molecular weight 143.98 g/mol. IUPAC: 1,2-diisothiocyanatoethane.
Chemical Property Profile of 1,2-Diisothiocyanatoethane
Property Insights of 1,2-Diisothiocyanatoethane
The XLogP value of 3.0 indicates that 1,2-Diisothiocyanatoethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Diisothiocyanatoethane. Following Lipinski's Rule of Five, 1,2-Diisothiocyanatoethane has 0 hydrogen bond donor(s) and 4 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 1,2-Diisothiocyanatoethane?
The CAS number of 1,2-Diisothiocyanatoethane is 3688-08-2.
What is the molecular formula of 1,2-Diisothiocyanatoethane?
The molecular formula of 1,2-Diisothiocyanatoethane is C4H4N2S2.
What is the molecular weight of 1,2-Diisothiocyanatoethane?
The molecular weight of 1,2-Diisothiocyanatoethane is 143.98 g/mol.
Where can I buy 1,2-Diisothiocyanatoethane?
You can request a quote for 1,2-Diisothiocyanatoethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Diisothiocyanatoethane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diisothiocyanatoethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.