![3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one structure](/static/products/3097/30979-04-5.webp)
3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one
TL;DR: 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one (CAS 30979-04-5) is a chemical compound with molecular formula C18H16N2OS4 and molecular weight 404.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethylsulfanyl]ethyl]-1,3-benzothiazol-2-one
Also Known As: 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one, 3-[2-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethylsulfanyl, 2(3H)-Benzothiazolone,3-[2-[[2-(2-thioxo-3(2H)-benzothiazolyl)ethyl]thio]ethyl]-, 3-(2-{[2-(2-Sulfanylidene-1,3-benzothiazol-3(2H)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3H)-one, 3-[2-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethylsulfanyl]ethyl]-1,3-benzothiazol-2-one
| Molecular Formula | C18H16N2OS4 |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.01456 |
| Heavy Atoms | 25 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 30979-04-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CCSCCN3C4=CC=CC=C4SC3=S |
| InChIKey | GHTAQMSLLDZQKF-UHFFFAOYSA-N |
Product Overview
3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one (CAS 30979-04-5), with molecular formula C18H16N2OS4 and molecular weight 404.01 g/mol. IUPAC: 3-[2-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethylsulfanyl]ethyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one
Property Insights of 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one
The XLogP value of 4.7 indicates that 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one. Following Lipinski's Rule of Five, 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one has 0 hydrogen bond donor(s) and 5 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-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one?
The CAS number of 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one is 30979-04-5.
What is the molecular formula of 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one?
The molecular formula of 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one is C18H16N2OS4.
What is the molecular weight of 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one?
The molecular weight of 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one is 404.01 g/mol.
Where can I buy 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one?
You can request a quote for 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-{[2-(2-thioxo-1,3-benzothiazol-3(2h)-yl)ethyl]sulfanyl}ethyl)-1,3-benzothiazol-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.