1-Propene-1-sulfonyl isocyanate
TL;DR: 1-Propene-1-sulfonyl isocyanate (CAS 13881-54-4) is a chemical compound with molecular formula C4H5NO3S and molecular weight 146.99901 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(oxomethylidene)prop-1-ene-1-sulfonamide
Also Known As: 1-Propenylsulfonylisocyanat, 1-Propene-1-sulfonylisocyanate, 1-Propene-1-sulfonyl isocyanate, prop-1-ene-1-sulfonyl isocyanate
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5NO3S |
| Molecular Weight | 146.99901 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.99901 Da |
| Heavy Atoms | 9 |
| Complexity | 239.0 |
| SMILES | CC=CS(=O)(=O)N=C=O |
| InChIKey | DAONPBQTUWQEQJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propene-1-sulfonyl isocyanate
Property Insights of 1-Propene-1-sulfonyl isocyanate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propene-1-sulfonyl isocyanate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propene-1-sulfonyl isocyanate. Following Lipinski's Rule of Five, 1-Propene-1-sulfonyl isocyanate 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
What is the CAS number of 1-Propene-1-sulfonyl isocyanate?
The CAS number of 1-Propene-1-sulfonyl isocyanate is 13881-54-4.
What is the molecular formula of 1-Propene-1-sulfonyl isocyanate?
The molecular formula of 1-Propene-1-sulfonyl isocyanate is C4H5NO3S.
What is the molecular weight of 1-Propene-1-sulfonyl isocyanate?
The molecular weight of 1-Propene-1-sulfonyl isocyanate is 146.99901 g/mol.
Where can I buy 1-Propene-1-sulfonyl isocyanate?
You can request a quote for 1-Propene-1-sulfonyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propene-1-sulfonyl isocyanate?
Yes, CoreyChem provides custom synthesis services for 1-Propene-1-sulfonyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.