N'-2-Benzothiazolyl-N-methyl-N-nitrosourea
TL;DR: N'-2-Benzothiazolyl-N-methyl-N-nitrosourea (CAS 51542-33-7) is a chemical compound with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-1-methyl-1-nitrosourea
Also Known As: Nitrosobenzthiazuron, N-Nitrosobenzthiazuron, N'-2-Benzothiazolyl-N-methyl-N-nitrosourea, Urea, 1-(2'-benzothiazolyl)-3-methyl-3-nitroso-, N-Nitroso-N-methyl-N'-(2-benzothiazolyl)urea
| Molecular Formula | C9H8N4O2S |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.0368 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 51542-33-7 |
|---|---|
| SMILES | CN(C(=O)NC1=NC2=CC=CC=C2S1)N=O |
| InChIKey | WLIJZJZXWRTQIH-UHFFFAOYSA-N |
Product Overview
N'-2-Benzothiazolyl-N-methyl-N-nitrosourea (CAS 51542-33-7), with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-1-methyl-1-nitrosourea.
Chemical Property Profile of N'-2-Benzothiazolyl-N-methyl-N-nitrosourea
Property Insights of N'-2-Benzothiazolyl-N-methyl-N-nitrosourea
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-2-Benzothiazolyl-N-methyl-N-nitrosourea. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-2-Benzothiazolyl-N-methyl-N-nitrosourea. Following Lipinski's Rule of Five, N'-2-Benzothiazolyl-N-methyl-N-nitrosourea 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
Frequently Asked Questions
What is the CAS number of N'-2-Benzothiazolyl-N-methyl-N-nitrosourea?
The CAS number of N'-2-Benzothiazolyl-N-methyl-N-nitrosourea is 51542-33-7.
What is the molecular formula of N'-2-Benzothiazolyl-N-methyl-N-nitrosourea?
The molecular formula of N'-2-Benzothiazolyl-N-methyl-N-nitrosourea is C9H8N4O2S.
What is the molecular weight of N'-2-Benzothiazolyl-N-methyl-N-nitrosourea?
The molecular weight of N'-2-Benzothiazolyl-N-methyl-N-nitrosourea is 236.04 g/mol.
Where can I buy N'-2-Benzothiazolyl-N-methyl-N-nitrosourea?
You can request a quote for N'-2-Benzothiazolyl-N-methyl-N-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-2-Benzothiazolyl-N-methyl-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N'-2-Benzothiazolyl-N-methyl-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.