3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
TL;DR: 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one (CAS 59362-53-7) is a chemical compound with molecular formula C10H7N3OS2 and molecular weight 249.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-(1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one, 3-Benzothiazol-2-yl-2-thioxo-imidazolidin-4-one, 3-(1,3-benzothiazol-2-yl)-2-sulfanylideneimidazolidin-4-one, 3-(benzo[d]thiazol-2-yl)-2-thioxoimidazolidin-4-one
| Molecular Formula | C10H7N3OS2 |
|---|---|
| Molecular Weight | 249.00 g/mol |
| LogP | 1.5174 |
| Topological Polar Surface Area | 45.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.00305 |
| Heavy Atoms | 16 |
| Complexity | 543.5166 |
Chemical Identifiers
| CAS Number | 59362-53-7 |
|---|---|
| SMILES | C1C(=O)N(C(=S)N1)C2=NC3=CC=CC=C3S2 |
Product Overview
3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one (CAS 59362-53-7), with molecular formula C10H7N3OS2 and molecular weight 249.00 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
Property Insights of 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
The XLogP value of 1.5174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one. With a topological polar surface area (TPSA) of 45.23 Ų, 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one has 1 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 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one is 59362-53-7.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one is C10H7N3OS2.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one is 249.00 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.