Propenylbenzothiazole
TL;DR: Propenylbenzothiazole (CAS 6270-75-3) is a chemical compound with molecular formula C10H9NS and molecular weight 175.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-1-enyl-1,3-benzothiazole
Also Known As: propenylbenzothiazole, benzothiazole, 2-(1-propenyl)-, 2-prop-1-enyl-1,3-benzothiazole, 2-(prop-1-en-1-yl)-1,3-benzothiazole, Benzothiazole, 2-(1-propenyl)- (9CI)
| Molecular Formula | C10H9NS |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.04558 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 6270-75-3 |
|---|---|
| SMILES | CC=CC1=NC2=CC=CC=C2S1 |
| InChIKey | QLIMKQNGGOYBRL-UHFFFAOYSA-N |
Product Overview
Propenylbenzothiazole (CAS 6270-75-3), with molecular formula C10H9NS and molecular weight 175.05 g/mol. IUPAC: 2-prop-1-enyl-1,3-benzothiazole.
Chemical Property Profile of Propenylbenzothiazole
Property Insights of Propenylbenzothiazole
The XLogP value of 3.6 indicates that Propenylbenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Propenylbenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propenylbenzothiazole has 0 hydrogen bond donor(s) and 2 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 Propenylbenzothiazole?
The CAS number of Propenylbenzothiazole is 6270-75-3.
What is the molecular formula of Propenylbenzothiazole?
The molecular formula of Propenylbenzothiazole is C10H9NS.
What is the molecular weight of Propenylbenzothiazole?
The molecular weight of Propenylbenzothiazole is 175.05 g/mol.
Where can I buy Propenylbenzothiazole?
You can request a quote for Propenylbenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propenylbenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for Propenylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.