2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine
TL;DR: 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine (CAS 76111-71-2) is a chemical compound with molecular formula C9H10N2OS and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)ethanamine
Also Known As: 2-(1,3-benzoxazol-2-ylsulfanyl)ethanamine, 2-(Benzo[d]oxazol-2-ylthio)ethanamine, 2-benzoxazol-2-ylthioethylamine, 2-(1,3-BENZOXAZOL-2-YLTHIO)ETHANAMINE, CHEMBRDG-BB 4014266
| Molecular Formula | C9H10N2OS |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.05139 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 76111-71-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCCN |
| InChIKey | LIZDKHZOMRDDRY-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine (CAS 76111-71-2), with molecular formula C9H10N2OS and molecular weight 194.05 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)ethanamine.
Chemical Property Profile of 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine
Property Insights of 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine. Following Lipinski's Rule of Five, 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine has 1 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 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine?
The CAS number of 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine is 76111-71-2.
What is the molecular formula of 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine?
The molecular formula of 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine is C9H10N2OS.
What is the molecular weight of 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine?
The molecular weight of 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine is 194.05 g/mol.
Where can I buy 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine?
You can request a quote for 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzoxazol-2-ylsulfanyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.