![2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole structure](/static/products/3711/37118-31-3.webp)
2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole
TL;DR: 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole (CAS 37118-31-3) is a chemical compound with molecular formula C8H6ClNOS and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethylsulfanyl)-1,3-benzoxazole
Also Known As: 2-(Chloromethylthio)benzoxazole, 2-(Chloromethylsulfanyl)benzooxazole, 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole, 2-(chloromethylsulfanyl)-1,3-benzoxazole, Benzoxazole, 2-[(chloromethyl)thio]-
| Molecular Formula | C8H6ClNOS |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.98586 |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 37118-31-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCCl |
| InChIKey | BHLHYQQSCVGQDS-UHFFFAOYSA-N |
Product Overview
2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole (CAS 37118-31-3), with molecular formula C8H6ClNOS and molecular weight 198.99 g/mol. IUPAC: 2-(chloromethylsulfanyl)-1,3-benzoxazole.
Chemical Property Profile of 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole
Property Insights of 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole
The XLogP value of 3.4 indicates that 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole has 0 hydrogen bond donor(s) and 3 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-[(Chloromethyl)sulfanyl]-1,3-benzoxazole?
The CAS number of 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole is 37118-31-3.
What is the molecular formula of 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole?
The molecular formula of 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole is C8H6ClNOS.
What is the molecular weight of 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole?
The molecular weight of 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole is 198.99 g/mol.
Where can I buy 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole?
You can request a quote for 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Chloromethyl)sulfanyl]-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.