3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione
TL;DR: 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione (CAS 61308-98-3) is a chemical compound with molecular formula C5H5NO3S and molecular weight 159.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanato-2,3-dihydrothiophene 1,1-dioxide
Also Known As: 3-isocyanato-2,3-dihydrothiophene 1,1-dioxide, 3-isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione, 3-isocyanato-2,3-dihydro-1, E?-thiophene-1,1-dione, E6-thiophene-1,1-dione
| Molecular Formula | C5H5NO3S |
|---|---|
| Molecular Weight | 159.00 g/mol |
| LogP | -0.3671 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.99901 |
| Heavy Atoms | 10 |
| Complexity | 296.85477 |
Chemical Identifiers
| CAS Number | 61308-98-3 |
|---|---|
| SMILES | C1C(C=CS1(=O)=O)N=C=O |
Product Overview
3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione (CAS 61308-98-3), with molecular formula C5H5NO3S and molecular weight 159.00 g/mol. IUPAC: 3-isocyanato-2,3-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione
Property Insights of 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione
The XLogP value of -0.3671 indicates that 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione. Following Lipinski's Rule of Five, 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione 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-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione?
The CAS number of 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione is 61308-98-3.
What is the molecular formula of 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione?
The molecular formula of 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione is C5H5NO3S.
What is the molecular weight of 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione?
The molecular weight of 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione is 159.00 g/mol.
Where can I buy 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione?
You can request a quote for 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.