IFLab1_002959
TL;DR: IFLab1_002959 (CAS 851716-67-1) is a chemical compound with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
Also Known As: IFLab1_002959, IDI1_009418, VU0077340-2, 2-(acetylsulfanyl)-N-[(2Z)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide, (Z)-S-(2-((3-methylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate
| Molecular Formula | C12H12N2O2S2 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 1.9468 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.03403 |
| Heavy Atoms | 18 |
| Complexity | 670.0124 |
Chemical Identifiers
| CAS Number | 851716-67-1 |
|---|---|
| SMILES | CC(=O)SCC(=O)N=C1N(C2=CC=CC=C2S1)C |
Product Overview
IFLab1_002959 (CAS 851716-67-1), with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol. IUPAC: S-[2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate.
Chemical Property Profile of IFLab1_002959
Property Insights of IFLab1_002959
The XLogP value of 1.9468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002959. With a topological polar surface area (TPSA) of 51.43 Ų, IFLab1_002959 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_002959 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 IFLab1_002959?
The CAS number of IFLab1_002959 is 851716-67-1.
What is the molecular formula of IFLab1_002959?
The molecular formula of IFLab1_002959 is C12H12N2O2S2.
What is the molecular weight of IFLab1_002959?
The molecular weight of IFLab1_002959 is 280.03 g/mol.
Where can I buy IFLab1_002959?
You can request a quote for IFLab1_002959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002959?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.