4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one
TL;DR: 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one (CAS 23384-47-6) is a chemical compound with molecular formula C11H11NOS2 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylsulfanyl)butan-2-one
Also Known As: 4-benzothiazol-2-ylthiobutan-2-one, 4-(1,3-benzothiazol-2-ylsulfanyl)butan-2-one, 4-(Benzo[d]thiazol-2-ylthio)butan-2-one, 4-benzothiazol-2-ylsulfanylbutan-2-one
| Molecular Formula | C11H11NOS2 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 3.3675 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.02821 |
| Heavy Atoms | 15 |
| Complexity | 445.14758 |
Chemical Identifiers
| CAS Number | 23384-47-6 |
|---|---|
| SMILES | CC(=O)CCSC1=NC2=CC=CC=C2S1 |
Product Overview
4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one (CAS 23384-47-6), with molecular formula C11H11NOS2 and molecular weight 237.03 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanyl)butan-2-one.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one
Property Insights of 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one
The XLogP value of 3.3675 indicates that 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one has 0 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 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one?
The CAS number of 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one is 23384-47-6.
What is the molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one?
The molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one is C11H11NOS2.
What is the molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one?
The molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one is 237.03 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one?
You can request a quote for 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-ylsulfanyl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.