Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide
TL;DR: Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide (CAS 866039-41-0) is a chemical compound with molecular formula C11H10ClNS2 and molecular weight 254.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole
Also Known As: Bionet2_001130, benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide, 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole, 5-[(benzylsulfanyl)methyl]-2-chloro-1,3-thiazole, 5W-0015
| Molecular Formula | C11H10ClNS2 |
|---|---|
| Molecular Weight | 254.99 g/mol |
| LogP | 4.2299 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.99432 |
| Heavy Atoms | 15 |
| Complexity | 413.5361 |
Chemical Identifiers
| CAS Number | 866039-41-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=CN=C(S2)Cl |
Product Overview
Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide (CAS 866039-41-0), with molecular formula C11H10ClNS2 and molecular weight 254.99 g/mol. IUPAC: 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole.
Chemical Property Profile of Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide
Property Insights of Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide
The XLogP value of 4.2299 indicates that Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide 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 Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide?
The CAS number of Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide is 866039-41-0.
What is the molecular formula of Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide?
The molecular formula of Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide is C11H10ClNS2.
What is the molecular weight of Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide?
The molecular weight of Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide is 254.99 g/mol.
Where can I buy Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide?
You can request a quote for Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.