![2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole structure](/static/products/2591/2591-14-2.webp)
2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole
TL;DR: 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole (CAS 2591-14-2) is a chemical compound with molecular formula C10H10ClNS2 and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloropropylsulfanyl)-1,3-benzothiazole
Also Known As: 2-[(3-chloropropyl)sulfanyl]-1,3-benzothiazole, 2-(3-chloropropylsulfanyl)-1,3-benzothiazole, 1,3-benzothiazol-2-yl 3-chloropropyl sulfide, 2-((3-Chloropropyl)thio)benzo[d]thiazole, 1-benzothiazol-2-ylthio-3-chloropropane
| Molecular Formula | C10H10ClNS2 |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 4.0173 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.99432 |
| Heavy Atoms | 14 |
| Complexity | 380.16913 |
Chemical Identifiers
| CAS Number | 2591-14-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCCCCl |
Product Overview
2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole (CAS 2591-14-2), with molecular formula C10H10ClNS2 and molecular weight 242.99 g/mol. IUPAC: 2-(3-chloropropylsulfanyl)-1,3-benzothiazole.
Chemical Property Profile of 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole
Property Insights of 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole
The XLogP value of 4.0173 indicates that 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole 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 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole?
The CAS number of 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole is 2591-14-2.
What is the molecular formula of 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole?
The molecular formula of 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole is C10H10ClNS2.
What is the molecular weight of 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole?
The molecular weight of 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole is 242.99 g/mol.
Where can I buy 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole?
You can request a quote for 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chloropropyl)sulfanyl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.