Diisothiocyanatomethane
TL;DR: Diisothiocyanatomethane (CAS 152007-82-4) is a chemical compound with molecular formula C3H2N2S2 and molecular weight 129.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diisothiocyanatomethane
Also Known As: diisothiocyanatomethane, Methane,diisothiocyanato-, Methylenebis(isothiocyanate), Hexamethylendiamin-N,N-diessigsaeure, Hexamethylendiamin-N,N-diessigsaeure Dihydrochloride
| Molecular Formula | C3H2N2S2 |
|---|---|
| Molecular Weight | 129.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.96594 |
| Heavy Atoms | 7 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 152007-82-4 |
|---|---|
| SMILES | C(N=C=S)N=C=S |
| InChIKey | KVKKJNWIWXXVLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisothiocyanatomethane (CAS 152007-82-4), with molecular formula C3H2N2S2 and molecular weight 129.97 g/mol. IUPAC: diisothiocyanatomethane.
Chemical Property Profile of Diisothiocyanatomethane
Property Insights of Diisothiocyanatomethane
The XLogP value of 3.2 indicates that Diisothiocyanatomethane 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 Diisothiocyanatomethane. Following Lipinski's Rule of Five, Diisothiocyanatomethane 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 Diisothiocyanatomethane?
The CAS number of Diisothiocyanatomethane is 152007-82-4.
What is the molecular formula of Diisothiocyanatomethane?
The molecular formula of Diisothiocyanatomethane is C3H2N2S2.
What is the molecular weight of Diisothiocyanatomethane?
The molecular weight of Diisothiocyanatomethane is 129.97 g/mol.
Where can I buy Diisothiocyanatomethane?
You can request a quote for Diisothiocyanatomethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisothiocyanatomethane?
Yes, KEHONG BIO provides custom synthesis services for Diisothiocyanatomethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.