Benzothiazole, 2-pentylthio-
TL;DR: Benzothiazole, 2-pentylthio- (CAS 73713-86-7) is a chemical compound with molecular formula C12H15NS2 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentylsulfanyl-1,3-benzothiazole
Also Known As: 2-Amylthiobenzothiazole, 2-Pentylthiobenzothiazole, BENZOTHIAZOLE, 2-PENTYLTHIO-, 2-pentylsulfanyl-1,3-benzothiazole, Benzothiazole, 2-(pentylthio)-
| Molecular Formula | C12H15NS2 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.06459 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 73713-86-7 |
|---|---|
| SMILES | CCCCCSC1=NC2=CC=CC=C2S1 |
| InChIKey | WVVKTTRATLBDGT-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 2-pentylthio- (CAS 73713-86-7), with molecular formula C12H15NS2 and molecular weight 237.06 g/mol. IUPAC: 2-pentylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-pentylthio-
Property Insights of Benzothiazole, 2-pentylthio-
The XLogP value of 4.1 indicates that Benzothiazole, 2-pentylthio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2-pentylthio-. Following Lipinski's Rule of Five, Benzothiazole, 2-pentylthio- has 0 hydrogen bond donor(s) and 3 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 Benzothiazole, 2-pentylthio-?
The CAS number of Benzothiazole, 2-pentylthio- is 73713-86-7.
What is the molecular formula of Benzothiazole, 2-pentylthio-?
The molecular formula of Benzothiazole, 2-pentylthio- is C12H15NS2.
What is the molecular weight of Benzothiazole, 2-pentylthio-?
The molecular weight of Benzothiazole, 2-pentylthio- is 237.06 g/mol.
Where can I buy Benzothiazole, 2-pentylthio-?
You can request a quote for Benzothiazole, 2-pentylthio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-pentylthio-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-pentylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.