3-Hydroxymethyl-3H-benzooxazole-2-thione
TL;DR: 3-Hydroxymethyl-3H-benzooxazole-2-thione (CAS 3161-58-8) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-1,3-benzoxazole-2-thione
Also Known As: 3-(Hydroxymethyl)-2-benzoxazolinethione, 3-(hydroxymethyl)-1,3-benzoxazole-2-thione, 3-(hydroxymethyl)benzo[d]oxazole-2(3H)-thione, 3-HYDROXYMETHYL-3H-BENZOOXAZOLE-2-THIONE, 3-(hydroxymethyl)-1,3-benzoxazole-2(3H)-thione
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 1.91359 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 457.27097 |
Chemical Identifiers
| CAS Number | 3161-58-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=S)O2)CO |
Product Overview
3-Hydroxymethyl-3H-benzooxazole-2-thione (CAS 3161-58-8), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: 3-(hydroxymethyl)-1,3-benzoxazole-2-thione.
Chemical Property Profile of 3-Hydroxymethyl-3H-benzooxazole-2-thione
Property Insights of 3-Hydroxymethyl-3H-benzooxazole-2-thione
The XLogP value of 1.91359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxymethyl-3H-benzooxazole-2-thione. With a topological polar surface area (TPSA) of 38.3 Ų, 3-Hydroxymethyl-3H-benzooxazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxymethyl-3H-benzooxazole-2-thione has 1 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 3-Hydroxymethyl-3H-benzooxazole-2-thione?
The CAS number of 3-Hydroxymethyl-3H-benzooxazole-2-thione is 3161-58-8.
What is the molecular formula of 3-Hydroxymethyl-3H-benzooxazole-2-thione?
The molecular formula of 3-Hydroxymethyl-3H-benzooxazole-2-thione is C8H7NO2S.
What is the molecular weight of 3-Hydroxymethyl-3H-benzooxazole-2-thione?
The molecular weight of 3-Hydroxymethyl-3H-benzooxazole-2-thione is 181.02 g/mol.
Where can I buy 3-Hydroxymethyl-3H-benzooxazole-2-thione?
You can request a quote for 3-Hydroxymethyl-3H-benzooxazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxymethyl-3H-benzooxazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxymethyl-3H-benzooxazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.