Thymolphthalexon S

2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid

CAS: 3778-22-1

Molecular Formula	`C37H44N2O13S`
Molecular Weight	756.8 g/mol
LogP	-0.3
Topological Polar Surface Area	248.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	15
Rotatable Bonds	16
Exact Mass	756.2564
Heavy Atoms	53
Complexity	1330.0

Chemical Identifiers

CAS Number	3778-22-1
SMILES	`CC1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CN(CC(=O)O)CC(=O)O)C`
InChIKey	`KIHCHVIVBXSLBU-UHFFFAOYSA-N`

📖 Product Overview

Thymolphthalexon S (CAS: 3778-22-1) is a chemical compound with molecular formula C37H44N2O13S and molecular weight 756.8 g/mol. Its IUPAC systematic name is 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid. LogP -0.3 Topological Polar Surface Area 248.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 15 Rotatable Bonds 16 Exact Mass 756.2564 Heavy Atoms 53 Complexity 1330.0 InChI Key: KIHCHVIVBXSLBU-UHFFFAOYSA-N. SMILES: CC1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CN(CC(=O)O)CC(=O)O)C.

🧪

Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

View MSDS →

Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

Do you ship internationally?

Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

📚 Academic Support

Scientific research papers and technical documentation supporting this product for informed procurement decisions.

📖

Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for Thymolphthalexon S.

Browse Technical Blog →

No research papers found for this product yet.

We continuously update our academic references. Check back soon!