3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide
TL;DR: 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide (CAS 571155-23-2) is a chemical compound with molecular formula C5H5NO2S2 and molecular weight 174.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isothiocyanato-2,5-dihydrothiophene 1,1-dioxide
Also Known As: 3-isothiocyanato-2,5-dihydrothiophene 1,1-dioxide, 1,1-dioxo-2,5-dihydrothiophen-3-isothiocyanate, 3-ISOTHIOCYANATO-2,5-DIHYDRO-1??-THIOPHENE-1,1-DIONE, Thiophene,2,5-dihydro-3-isothiocyanato-,1,1-dioxide, 3-isothiocyanato-2,5-dihydro-1
| Molecular Formula | C5H5NO2S2 |
|---|---|
| Molecular Weight | 174.98 g/mol |
| LogP | 0.4015 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.97617 |
| Heavy Atoms | 10 |
| Complexity | 308.53964 |
Chemical Identifiers
| CAS Number | 571155-23-2 |
|---|---|
| SMILES | C1C=C(CS1(=O)=O)N=C=S |
Product Overview
3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide (CAS 571155-23-2), with molecular formula C5H5NO2S2 and molecular weight 174.98 g/mol. IUPAC: 3-isothiocyanato-2,5-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide
Property Insights of 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide
The XLogP value of 0.4015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide 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 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide?
The CAS number of 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide is 571155-23-2.
What is the molecular formula of 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide?
The molecular formula of 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide is C5H5NO2S2.
What is the molecular weight of 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide?
The molecular weight of 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide is 174.98 g/mol.
Where can I buy 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide?
You can request a quote for 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Isothiocyanato-2,5-dihydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.