2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide
TL;DR: 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide (CAS 477868-77-2) is a chemical compound with molecular formula C15H12ClNS2 and molecular weight 305.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-2H-1,4-benzothiazine
Also Known As: 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide, 1P-305S, 3-[(2-chlorophenyl)methylsulfanyl]-2H-1,4-benzothiazine, 3-{[(2-chlorophenyl)methyl]sulfanyl}-2H-1,4-benzothiazine
| Molecular Formula | C15H12ClNS2 |
|---|---|
| Molecular Weight | 305.01 g/mol |
| LogP | 5.4091 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.00998 |
| Heavy Atoms | 19 |
| Complexity | 625.04755 |
Chemical Identifiers
| CAS Number | 477868-77-2 |
|---|---|
| SMILES | C1C(=NC2=CC=CC=C2S1)SCC3=CC=CC=C3Cl |
Product Overview
2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide (CAS 477868-77-2), with molecular formula C15H12ClNS2 and molecular weight 305.01 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-2H-1,4-benzothiazine.
Chemical Property Profile of 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide
Property Insights of 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide
The XLogP value of 5.4091 indicates that 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide 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 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide?
The CAS number of 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide is 477868-77-2.
What is the molecular formula of 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide?
The molecular formula of 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide is C15H12ClNS2.
What is the molecular weight of 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide?
The molecular weight of 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide is 305.01 g/mol.
Where can I buy 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide?
You can request a quote for 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-benzothiazin-3-yl 2-chlorobenzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.