Benzothiazole-2-ylhydroxylamine
TL;DR: Benzothiazole-2-ylhydroxylamine (CAS 57980-94-6) is a chemical compound with molecular formula C7H6N2OS and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)hydroxylamine
Also Known As: hydroxyaminobenzothiazole, benzothiazole-2-ylhydroxylamine, N-benzothiazol-2-ylhydroxylamine, 2(3h)-benzothiazolone,oxime(9ci), N-hydroxy-1,3-benzothiazol-2-amine
| Molecular Formula | C7H6N2OS |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 2.0974 |
| Topological Polar Surface Area | 45.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.02008 |
| Heavy Atoms | 11 |
| Complexity | 338.233 |
Chemical Identifiers
| CAS Number | 57980-94-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NO |
Product Overview
Benzothiazole-2-ylhydroxylamine (CAS 57980-94-6), with molecular formula C7H6N2OS and molecular weight 166.02 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)hydroxylamine.
Chemical Property Profile of Benzothiazole-2-ylhydroxylamine
Property Insights of Benzothiazole-2-ylhydroxylamine
The XLogP value of 2.0974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazole-2-ylhydroxylamine. With a topological polar surface area (TPSA) of 45.15 Ų, Benzothiazole-2-ylhydroxylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole-2-ylhydroxylamine has 2 hydrogen bond donor(s) and 4 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 Benzothiazole-2-ylhydroxylamine?
The CAS number of Benzothiazole-2-ylhydroxylamine is 57980-94-6.
What is the molecular formula of Benzothiazole-2-ylhydroxylamine?
The molecular formula of Benzothiazole-2-ylhydroxylamine is C7H6N2OS.
What is the molecular weight of Benzothiazole-2-ylhydroxylamine?
The molecular weight of Benzothiazole-2-ylhydroxylamine is 166.02 g/mol.
Where can I buy Benzothiazole-2-ylhydroxylamine?
You can request a quote for Benzothiazole-2-ylhydroxylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole-2-ylhydroxylamine?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole-2-ylhydroxylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.