1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea
TL;DR: 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea (CAS 115969-51-2) is a chemical compound with molecular formula C10H10N4O3S and molecular weight 266.04736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea
Also Known As: CH3SiEt Lactoside, 2-(Trimethylsilyl)ethyl lactoside, KST-1A9968, 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea, 2-(Trimethylsilyl)ethyl beta-lactoside
Technical Specifications
| Molecular Formula | C10H10N4O3S |
| Molecular Weight | 266.04736 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.04736 Da |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
| SMILES | CN(C)C(=O)NC1=NSC2=C1C=CC=C2[N+](=O)[O-] |
| InChIKey | XARBPSFWRIWIEJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea
Property Insights of 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea. Following Lipinski's Rule of Five, 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea?
The CAS number of 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea is 115969-51-2.
What is the molecular formula of 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea?
The molecular formula of 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea is C10H10N4O3S.
What is the molecular weight of 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea?
The molecular weight of 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea is 266.04736 g/mol.
Where can I buy 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea?
You can request a quote for 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea?
Yes, CoreyChem provides custom synthesis services for 1,1-Dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.