((甲氧基甲基)硫代)苯并噻唑3-氧化物
TL;DR: ((甲氧基甲基)硫代)苯并噻唑3-氧化物 (CAS 91384-87-1) is a chemical compound with molecular formula C9H9NO2S2 and molecular weight 227.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
((甲氧基甲基)硫代)苯并噻唑3-氧化物
2-(methoxymethylsulfanyl)-3-oxido-1,3-benzothiazol-3-ium
Also Known As: Benzothiazole, ((methoxymethyl)thio)-, 3-oxide, 2-(Methoxymethylthio)-3-oxidobenzothiazole, 2-(methoxymethylsulfanyl)-3-oxido-benzothiazole, 2-[(methoxymethyl)sulfanyl]-1,3-benzothiazole 3-oxide, 2-(methoxymethylsulfanyl)-3-oxido-1,3-benzothiazol-3-ium
| Molecular Formula | C9H9NO2S2 |
|---|---|
| Molecular Weight | 227.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.00748 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 91384-87-1 |
|---|---|
| SMILES | COCSC1=[N+](C2=CC=CC=C2S1)[O-] |
| InChIKey | LGVPCXSTXFRLIP-UHFFFAOYSA-N |
Product Overview
((甲氧基甲基)硫代)苯并噻唑3-氧化物 (CAS 91384-87-1), with molecular formula C9H9NO2S2 and molecular weight 227.01 g/mol. IUPAC: 2-(methoxymethylsulfanyl)-3-oxido-1,3-benzothiazol-3-ium.
Chemical Property Profile of ((甲氧基甲基)硫代)苯并噻唑3-氧化物
Property Insights of ((甲氧基甲基)硫代)苯并噻唑3-氧化物
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((甲氧基甲基)硫代)苯并噻唑3-氧化物. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ((甲氧基甲基)硫代)苯并噻唑3-氧化物. Following Lipinski's Rule of Five, ((甲氧基甲基)硫代)苯并噻唑3-氧化物 has 0 hydrogen bond donor(s) and 4 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 ((甲氧基甲基)硫代)苯并噻唑3-氧化物?
The CAS number of ((甲氧基甲基)硫代)苯并噻唑3-氧化物 is 91384-87-1.
What is the molecular formula of ((甲氧基甲基)硫代)苯并噻唑3-氧化物?
The molecular formula of ((甲氧基甲基)硫代)苯并噻唑3-氧化物 is C9H9NO2S2.
What is the molecular weight of ((甲氧基甲基)硫代)苯并噻唑3-氧化物?
The molecular weight of ((甲氧基甲基)硫代)苯并噻唑3-氧化物 is 227.01 g/mol.
Where can I buy ((甲氧基甲基)硫代)苯并噻唑3-氧化物?
You can request a quote for ((甲氧基甲基)硫代)苯并噻唑3-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 ((甲氧基甲基)硫代)苯并噻唑3-氧化物?
Yes, KEHONG BIO provides custom synthesis services for ((甲氧基甲基)硫代)苯并噻唑3-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.