1,3-苯并噻唑-2-基4-氯苄基硫醚
TL;DR: 1,3-苯并噻唑-2-基4-氯苄基硫醚 (CAS 23111-43-5) is a chemical compound with molecular formula C14H10ClNS2 and molecular weight 290.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-苯并噻唑-2-基4-氯苄基硫醚
2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazole
Also Known As: ChemDiv3_005101, 1,3-benzothiazol-2-yl 4-chlorobenzyl sulfide, 2-(4-Chlorobenzylthio)benzothiazole, 2-(4-Chloro-benzylsulfanyl)-benzothiazole, IDI1_023011
| Molecular Formula | C14H10ClNS2 |
|---|---|
| Molecular Weight | 290.99 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.99432 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 23111-43-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)Cl |
| InChIKey | MHPLBFVYJVGKFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-苯并噻唑-2-基4-氯苄基硫醚 (CAS 23111-43-5), with molecular formula C14H10ClNS2 and molecular weight 290.99 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 1,3-苯并噻唑-2-基4-氯苄基硫醚
Property Insights of 1,3-苯并噻唑-2-基4-氯苄基硫醚
The XLogP value of 5.2 indicates that 1,3-苯并噻唑-2-基4-氯苄基硫醚 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 1,3-苯并噻唑-2-基4-氯苄基硫醚. Following Lipinski's Rule of Five, 1,3-苯并噻唑-2-基4-氯苄基硫醚 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 1,3-苯并噻唑-2-基4-氯苄基硫醚?
The CAS number of 1,3-苯并噻唑-2-基4-氯苄基硫醚 is 23111-43-5.
What is the molecular formula of 1,3-苯并噻唑-2-基4-氯苄基硫醚?
The molecular formula of 1,3-苯并噻唑-2-基4-氯苄基硫醚 is C14H10ClNS2.
What is the molecular weight of 1,3-苯并噻唑-2-基4-氯苄基硫醚?
The molecular weight of 1,3-苯并噻唑-2-基4-氯苄基硫醚 is 290.99 g/mol.
Where can I buy 1,3-苯并噻唑-2-基4-氯苄基硫醚?
You can request a quote for 1,3-苯并噻唑-2-基4-氯苄基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-苯并噻唑-2-基4-氯苄基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 1,3-苯并噻唑-2-基4-氯苄基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.