C11H16Cl3N3O2S3
TL;DR: C11H16Cl3N3O2S3 (CAS 71108-06-0) is a chemical compound with molecular formula C11H16Cl3N3O2S3 and molecular weight 422.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(5,5-dimethyl-2-propan-2-ylimino-1,3-dithiolan-4-ylidene)amino] N-methyl-N-(trichloromethylsulfanyl)carbamate
Also Known As: 1,3-Dithiolan-4-one, 5,5-dimethyl-2-((1-methylethyl)imino)-, O-((methyl((trichloromethyl)thio)amino)carbonyl)oxime, 5,5-Dimethyl-2-((1-methylethyl)imino)-1,3-dithiolan-4-one O-((methyl((trichloromethyl)thio)amino)carbonyl)oxime
| Molecular Formula | C11H16Cl3N3O2S3 |
|---|---|
| Molecular Weight | 422.95 g/mol |
| LogP | 5.3672 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.94702 |
| Heavy Atoms | 22 |
| Complexity | 492.7093 |
Chemical Identifiers
| CAS Number | 71108-06-0 |
|---|---|
| SMILES | CC(C)N=C1S/C(=N/OC(=O)N(C)SC(Cl)(Cl)Cl)/C(S1)(C)C |
Product Overview
C11H16Cl3N3O2S3 (CAS 71108-06-0), with molecular formula C11H16Cl3N3O2S3 and molecular weight 422.95 g/mol. IUPAC: [(E)-(5,5-dimethyl-2-propan-2-ylimino-1,3-dithiolan-4-ylidene)amino] N-methyl-N-(trichloromethylsulfanyl)carbamate.
Chemical Property Profile of C11H16Cl3N3O2S3
Property Insights of C11H16Cl3N3O2S3
The XLogP value of 5.3672 indicates that C11H16Cl3N3O2S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.26 Ų, C11H16Cl3N3O2S3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C11H16Cl3N3O2S3 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C11H16Cl3N3O2S3?
The CAS number of C11H16Cl3N3O2S3 is 71108-06-0.
What is the molecular formula of C11H16Cl3N3O2S3?
The molecular formula of C11H16Cl3N3O2S3 is C11H16Cl3N3O2S3.
What is the molecular weight of C11H16Cl3N3O2S3?
The molecular weight of C11H16Cl3N3O2S3 is 422.95 g/mol.
Where can I buy C11H16Cl3N3O2S3?
You can request a quote for C11H16Cl3N3O2S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C11H16Cl3N3O2S3?
Yes, KEHONG BIO provides custom synthesis services for C11H16Cl3N3O2S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.