5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol (CAS 144605-30-1) is a chemical compound with molecular formula C10H5ClN2OS2 and molecular weight 267.9532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-chloro-1-benzothiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol, 5-(3-Chloro-benzo[b]thiophen-2-yl)-[1,3,4]oxadiazole-2-thiol, 1,3,4-Oxadiazole-2(3H)-thione, 5-(3-chlorobenzo[b]thien-2-yl)-, 5-(3-chloro-1-benzothiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione, 5-(3-chloro-1-benzothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione
Technical Specifications
| Molecular Formula | C10H5ClN2OS2 |
| Molecular Weight | 267.9532 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.9532 Da |
| Heavy Atoms | 16 |
| Complexity | 350.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C3=NNC(=S)O3)Cl |
| InChIKey | MXBSTXKKPYUUAP-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 4.0 indicates that 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol is 144605-30-1.
What is the molecular formula of 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol is C10H5ClN2OS2.
What is the molecular weight of 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol is 267.9532 g/mol.
Where can I buy 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(3-Chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.