6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one
TL;DR: 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one (CAS 142749-43-7) is a chemical compound with molecular formula C10H8N2O3S and molecular weight 236.02556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-one
Also Known As: 3-allyl-6-nitro-2-benzothiazolinone, 6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-one, 3-allyl-6-nitro-1,3-benzothiazol-2(3H)-one, AB00083310-01
Technical Specifications
| Molecular Formula | C10H8N2O3S |
| Molecular Weight | 236.02556 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.02556 Da |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
| SMILES | C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=O |
| InChIKey | OBYUVTRKWXLACE-UHFFFAOYSA-N |
Chemical Property Profile of 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one
Property Insights of 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one. Following Lipinski's Rule of Five, 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one 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 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one?
The CAS number of 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one is 142749-43-7.
What is the molecular formula of 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one?
The molecular formula of 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one is C10H8N2O3S.
What is the molecular weight of 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one?
The molecular weight of 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one is 236.02556 g/mol.
Where can I buy 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one?
You can request a quote for 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one?
Yes, CoreyChem provides custom synthesis services for 6-Nitro-3-prop-2-enyl-1,3-benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.