4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol
TL;DR: 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol (CAS 431067-90-2) is a chemical compound with molecular formula C11H9NOS2 and molecular weight 235.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-ol
Also Known As: starbld0030312, 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-ol, 4-(Benzo[d]thiazol-2-ylthio)but-2-yn-1-ol, BAS 03296119, 4-benzothiazol-2-ylthiobut-2-yn-1-ol
| Molecular Formula | C11H9NOS2 |
|---|---|
| Molecular Weight | 235.01 g/mol |
| LogP | 2.3841 |
| Topological Polar Surface Area | 33.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.01256 |
| Heavy Atoms | 15 |
| Complexity | 476.77255 |
Chemical Identifiers
| CAS Number | 431067-90-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC#CCO |
Product Overview
4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol (CAS 431067-90-2), with molecular formula C11H9NOS2 and molecular weight 235.01 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-ol.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol
Property Insights of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol
The XLogP value of 2.3841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol. With a topological polar surface area (TPSA) of 33.12 Ų, 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol 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 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol?
The CAS number of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol is 431067-90-2.
What is the molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol?
The molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol is C11H9NOS2.
What is the molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol?
The molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol is 235.01 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol?
You can request a quote for 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol 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)but-2-yn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.