(1,1-Dioxothiolan-2-yl)-phenylmethanol
TL;DR: (1,1-Dioxothiolan-2-yl)-phenylmethanol (CAS 3005-72-9) is a chemical compound with molecular formula C11H14O3S and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxothiolan-2-yl)-phenylmethanol
Also Known As: KST-1A3587, (1,1-dioxothiolan-2-yl)-phenylmethanol, (1,1-dioxidotetrahydrothiophen-2-yl)(phenyl)methanol, threo-Phenyl-(1,1-dioxy-2-thiolanyl)-carbinol, 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide
| Molecular Formula | C11H14O3S |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.06636 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 3005-72-9 |
|---|---|
| SMILES | C1CC(S(=O)(=O)C1)C(C2=CC=CC=C2)O |
| InChIKey | MQYLMSZREIAQMO-UHFFFAOYSA-N |
Product Overview
(1,1-Dioxothiolan-2-yl)-phenylmethanol (CAS 3005-72-9), with molecular formula C11H14O3S and molecular weight 226.07 g/mol. IUPAC: (1,1-dioxothiolan-2-yl)-phenylmethanol.
Chemical Property Profile of (1,1-Dioxothiolan-2-yl)-phenylmethanol
Property Insights of (1,1-Dioxothiolan-2-yl)-phenylmethanol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1-Dioxothiolan-2-yl)-phenylmethanol. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,1-Dioxothiolan-2-yl)-phenylmethanol. Following Lipinski's Rule of Five, (1,1-Dioxothiolan-2-yl)-phenylmethanol 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 (1,1-Dioxothiolan-2-yl)-phenylmethanol?
The CAS number of (1,1-Dioxothiolan-2-yl)-phenylmethanol is 3005-72-9.
What is the molecular formula of (1,1-Dioxothiolan-2-yl)-phenylmethanol?
The molecular formula of (1,1-Dioxothiolan-2-yl)-phenylmethanol is C11H14O3S.
What is the molecular weight of (1,1-Dioxothiolan-2-yl)-phenylmethanol?
The molecular weight of (1,1-Dioxothiolan-2-yl)-phenylmethanol is 226.07 g/mol.
Where can I buy (1,1-Dioxothiolan-2-yl)-phenylmethanol?
You can request a quote for (1,1-Dioxothiolan-2-yl)-phenylmethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1-Dioxothiolan-2-yl)-phenylmethanol?
Yes, KEHONG BIO provides custom synthesis services for (1,1-Dioxothiolan-2-yl)-phenylmethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.