2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt
TL;DR: 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt (CAS 71605-73-7) is a chemical compound with molecular formula C7H5N2Na2O3PS2 and molecular weight 305.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2,1,3-benzothiadiazol-4-ylmethylsulfanyl-dioxido-oxo-λ5-phosphane
Also Known As: 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt, disodium 2,1,3-benzothiadiazol-4-ylmethylsulfanyl-dioxido-oxo-, Disodium S-[(2,1,3-benzothiadiazol-4-yl)methyl] phosphorothioate, RefChem:241856
| Molecular Formula | C7H5N2Na2O3PS2 |
|---|---|
| Molecular Weight | 305.93 g/mol |
| LogP | -5.2388 |
| Topological Polar Surface Area | 88.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.92746 |
| Heavy Atoms | 17 |
| Complexity | 532.5681 |
Chemical Identifiers
| CAS Number | 71605-73-7 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)CSP(=O)([O-])[O-].[Na+].[Na+] |
Product Overview
2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt (CAS 71605-73-7), with molecular formula C7H5N2Na2O3PS2 and molecular weight 305.93 g/mol. IUPAC: disodium;2,1,3-benzothiadiazol-4-ylmethylsulfanyl-dioxido-oxo-λ5-phosphane.
Chemical Property Profile of 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt
Property Insights of 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt
The XLogP value of -5.2388 indicates that 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt has 0 hydrogen bond donor(s) and 7 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 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt?
The CAS number of 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt is 71605-73-7.
What is the molecular formula of 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt?
The molecular formula of 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt is C7H5N2Na2O3PS2.
What is the molecular weight of 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt?
The molecular weight of 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt is 305.93 g/mol.
Where can I buy 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt?
You can request a quote for 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazole-4-methanethiol dihydrogen phosphate (ester), disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.