2-Benzothiazolamine, 4-chloro-N-nitroso-
TL;DR: 2-Benzothiazolamine, 4-chloro-N-nitroso- (CAS 501935-79-1) is a chemical compound with molecular formula C7H4ClN3OS and molecular weight 212.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-1,3-benzothiazol-2-yl)nitrous amide
Also Known As: 2-BENZOTHIAZOLAMINE, 4-CHLORO-N-NITROSO-, 2-Benzothiazolamine, 4-chloro-N-nitroso- (9CI), N-(4-chloro-1,3-benzothiazol-2-yl)nitrous amide
| Molecular Formula | C7H4ClN3OS |
|---|---|
| Molecular Weight | 212.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.97636 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 501935-79-1 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)N=C(S2)NN=O |
| InChIKey | RDPNJSYKDQFRMJ-UHFFFAOYSA-N |
Product Overview
2-Benzothiazolamine, 4-chloro-N-nitroso- (CAS 501935-79-1), with molecular formula C7H4ClN3OS and molecular weight 212.98 g/mol. IUPAC: N-(4-chloro-1,3-benzothiazol-2-yl)nitrous amide.
Chemical Property Profile of 2-Benzothiazolamine, 4-chloro-N-nitroso-
Property Insights of 2-Benzothiazolamine, 4-chloro-N-nitroso-
The XLogP value of 3.0 indicates that 2-Benzothiazolamine, 4-chloro-N-nitroso- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolamine, 4-chloro-N-nitroso-. Following Lipinski's Rule of Five, 2-Benzothiazolamine, 4-chloro-N-nitroso- 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 2-Benzothiazolamine, 4-chloro-N-nitroso-?
The CAS number of 2-Benzothiazolamine, 4-chloro-N-nitroso- is 501935-79-1.
What is the molecular formula of 2-Benzothiazolamine, 4-chloro-N-nitroso-?
The molecular formula of 2-Benzothiazolamine, 4-chloro-N-nitroso- is C7H4ClN3OS.
What is the molecular weight of 2-Benzothiazolamine, 4-chloro-N-nitroso-?
The molecular weight of 2-Benzothiazolamine, 4-chloro-N-nitroso- is 212.98 g/mol.
Where can I buy 2-Benzothiazolamine, 4-chloro-N-nitroso-?
You can request a quote for 2-Benzothiazolamine, 4-chloro-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolamine, 4-chloro-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolamine, 4-chloro-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.