2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione
TL;DR: 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione (CAS 134996-50-2) is a chemical compound with molecular formula C9H8O3S and molecular weight 196.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxo-1-benzothiophen-2-yl)methanol
Also Known As: Benzothiophene sulfone-2-methanol, 2-(Hydroxymethyl)benzo[b]thiophene 1,1-dioxide, benzothiophenesulfone-2-methanol, (1,1-dioxo-1-benzothiophen-2-yl)methanol, (1,1-dioxobenzothiophen-2-yl)methanol
| Molecular Formula | C9H8O3S |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | 0.8071 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.01941 |
| Heavy Atoms | 13 |
| Complexity | 471.38812 |
Chemical Identifiers
| CAS Number | 134996-50-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2(=O)=O)CO |
Product Overview
2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione (CAS 134996-50-2), with molecular formula C9H8O3S and molecular weight 196.02 g/mol. IUPAC: (1,1-dioxo-1-benzothiophen-2-yl)methanol.
Chemical Property Profile of 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione
Property Insights of 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione
The XLogP value of 0.8071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione. With a topological polar surface area (TPSA) of 54.37 Ų, 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione 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 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione?
The CAS number of 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione is 134996-50-2.
What is the molecular formula of 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione?
The molecular formula of 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione is C9H8O3S.
What is the molecular weight of 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione?
The molecular weight of 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione is 196.02 g/mol.
Where can I buy 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione?
You can request a quote for 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.