2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole
TL;DR: 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole (CAS 13353-67-8) is a chemical compound with molecular formula C10H9NOS2 and molecular weight 223.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole
Also Known As: 2-(oxiran-2-ylmethylthio)benzothiazole, 2-((oxiran-2-ylmethyl)thio)benzo[d]thiazole, 2-(oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole, Benzothiazole, 2-[(oxiranylmethyl)thio]- (9CI), 2-[(2-Oxiranylmethyl)sulfanyl]-1,3-benzothiazole
| Molecular Formula | C10H9NOS2 |
|---|---|
| Molecular Weight | 223.01 g/mol |
| LogP | 2.7872 |
| Topological Polar Surface Area | 25.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.01256 |
| Heavy Atoms | 14 |
| Complexity | 417.07364 |
Chemical Identifiers
| CAS Number | 13353-67-8 |
|---|---|
| SMILES | C1C(O1)CSC2=NC3=CC=CC=C3S2 |
Product Overview
2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole (CAS 13353-67-8), with molecular formula C10H9NOS2 and molecular weight 223.01 g/mol. IUPAC: 2-(oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole
Property Insights of 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole
The XLogP value of 2.7872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole. With a topological polar surface area (TPSA) of 25.42 Ų, 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole has 0 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 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole?
The CAS number of 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole is 13353-67-8.
What is the molecular formula of 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole?
The molecular formula of 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole is C10H9NOS2.
What is the molecular weight of 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole?
The molecular weight of 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole is 223.01 g/mol.
Where can I buy 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole?
You can request a quote for 2-(Oxiran-2-ylmethylsulfanyl)-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-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.