3-(氯甲基)硫色酮1,1-二氧化物
TL;DR: 3-(氯甲基)硫色酮1,1-二氧化物 (CAS 77694-48-5) is a chemical compound with molecular formula C10H7ClO3S and molecular weight 241.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(氯甲基)硫色酮1,1-二氧化物
3-(chloromethyl)-1,1-dioxothiochromen-4-one
Also Known As: 3-Chloromethylthiochromone-1,1-dioxide, 3-(Chloromethyl)thiochromone 1,1-dioxide, 3-(chloromethyl)-1,1-dioxothiochromen-4-one, 3-chloromethylthiochromone 1,1-dioxide, 4H-1-Benzothiopyran-4-one, 3-(chloromethyl)-, 1,1-dioxide
| Molecular Formula | C10H7ClO3S |
|---|---|
| Molecular Weight | 241.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.98044 |
| Heavy Atoms | 15 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 77694-48-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CS2(=O)=O)CCl |
| InChIKey | BDRWMOVNTQHPKN-UHFFFAOYSA-N |
Product Overview
3-(氯甲基)硫色酮1,1-二氧化物 (CAS 77694-48-5), with molecular formula C10H7ClO3S and molecular weight 241.98 g/mol. IUPAC: 3-(chloromethyl)-1,1-dioxothiochromen-4-one.
Chemical Property Profile of 3-(氯甲基)硫色酮1,1-二氧化物
Property Insights of 3-(氯甲基)硫色酮1,1-二氧化物
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(氯甲基)硫色酮1,1-二氧化物. With a topological polar surface area (TPSA) of 59.6 Ų, 3-(氯甲基)硫色酮1,1-二氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(氯甲基)硫色酮1,1-二氧化物 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 3-(氯甲基)硫色酮1,1-二氧化物?
The CAS number of 3-(氯甲基)硫色酮1,1-二氧化物 is 77694-48-5.
What is the molecular formula of 3-(氯甲基)硫色酮1,1-二氧化物?
The molecular formula of 3-(氯甲基)硫色酮1,1-二氧化物 is C10H7ClO3S.
What is the molecular weight of 3-(氯甲基)硫色酮1,1-二氧化物?
The molecular weight of 3-(氯甲基)硫色酮1,1-二氧化物 is 241.98 g/mol.
Where can I buy 3-(氯甲基)硫色酮1,1-二氧化物?
You can request a quote for 3-(氯甲基)硫色酮1,1-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(氯甲基)硫色酮1,1-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 3-(氯甲基)硫色酮1,1-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.