S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate)
TL;DR: S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate) (CAS 370077-29-5) is a chemical compound with molecular formula C22H18N2O6S3 and molecular weight 502.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[4-cyano-3-(3,4-dimethoxybenzoyl)sulfanyl-1,2-thiazol-5-yl] 3,4-dimethoxybenzenecarbothioate
Also Known As: S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate), 3,5-bis[(3,4-dimethoxybenzoyl)sulfanyl]-1,2-thiazole-4-carbonitrile, S,S'-(4-cyano-1,2-thiazole-3,5-diyl) bis(3,4-dimethoxybenzenecarbothioate), S-[4-cyano-3-(3,4-dimethoxybenzoyl)sulfanyl-1,2-thiazol-5-yl] 3,4-dimethoxybenzenecarbothioate
| Molecular Formula | C22H18N2O6S3 |
|---|---|
| Molecular Weight | 502.03 g/mol |
| LogP | 4.91418 |
| Topological Polar Surface Area | 107.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.0327 |
| Heavy Atoms | 33 |
| Complexity | 1148.3545 |
Chemical Identifiers
| CAS Number | 370077-29-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)SC2=C(C(=NS2)SC(=O)C3=CC(=C(C=C3)OC)OC)C#N)OC |
Product Overview
S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate) (CAS 370077-29-5), with molecular formula C22H18N2O6S3 and molecular weight 502.03 g/mol. IUPAC: S-[4-cyano-3-(3,4-dimethoxybenzoyl)sulfanyl-1,2-thiazol-5-yl] 3,4-dimethoxybenzenecarbothioate.
Chemical Property Profile of S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate)
Property Insights of S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate)
The XLogP value of 4.91418 indicates that S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.74 Ų falls within the moderate polarity range, balancing permeability and solubility for S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate). Following Lipinski's Rule of Five, S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate) has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate)?
The CAS number of S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate) is 370077-29-5.
What is the molecular formula of S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate)?
The molecular formula of S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate) is C22H18N2O6S3.
What is the molecular weight of S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate)?
The molecular weight of S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate) is 502.03 g/mol.
Where can I buy S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate)?
You can request a quote for S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate)?
Yes, KEHONG BIO provides custom synthesis services for S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.