Benzothiazole, 2-(heptylthio)-
TL;DR: Benzothiazole, 2-(heptylthio)- (CAS 15647-75-3) is a chemical compound with molecular formula C14H19NS2 and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptylsulfanyl-1,3-benzothiazole
Also Known As: Heptylcaptax, Benzothiazole, 2-(heptylthio)-, 2-heptylsulfanyl-1,3-benzothiazole, HEPTYL MERCAPTOBENZOTHIAZOLE, 2-(HEPTYLTHIO)BENZOTHIAZOLE
| Molecular Formula | C14H19NS2 |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.0959 |
| Heavy Atoms | 17 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 15647-75-3 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=CC=CC=C2S1 |
| InChIKey | YAPCOOZZOPRYLM-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 2-(heptylthio)- (CAS 15647-75-3), with molecular formula C14H19NS2 and molecular weight 265.10 g/mol. IUPAC: 2-heptylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-(heptylthio)-
Property Insights of Benzothiazole, 2-(heptylthio)-
The XLogP value of 5.2 indicates that Benzothiazole, 2-(heptylthio)- 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-(heptylthio)-. Following Lipinski's Rule of Five, Benzothiazole, 2-(heptylthio)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2-(heptylthio)-?
The CAS number of Benzothiazole, 2-(heptylthio)- is 15647-75-3.
What is the molecular formula of Benzothiazole, 2-(heptylthio)-?
The molecular formula of Benzothiazole, 2-(heptylthio)- is C14H19NS2.
What is the molecular weight of Benzothiazole, 2-(heptylthio)-?
The molecular weight of Benzothiazole, 2-(heptylthio)- is 265.10 g/mol.
Where can I buy Benzothiazole, 2-(heptylthio)-?
You can request a quote for Benzothiazole, 2-(heptylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-(heptylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-(heptylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.