RefChem:1084411
TL;DR: RefChem:1084411 (CAS 77248-50-1) is a chemical compound with molecular formula C9H18N2O3S3 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-N-[tert-butylsulfanylsulfinyl(methyl)carbamoyl]oxyethanimidothioate
Also Known As: S-Methyl N-(N'-methyl-N'-t-butylthiosulfinylcarbamoyloxy)thioacetimidate, Ethanimidothioic acid, N-((((((1,1-dimethylethyl)thio)sulfinyl)methylamino)carbonyl)oxy)-, methyl ester, methyl (1Z)-N-[tert-butylsulfanylsulfinyl(methyl)carbamoyl]oxyethanimidothioate, RefChem:1084411
| Molecular Formula | C9H18N2O3S3 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 2.8616 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.04794 |
| Heavy Atoms | 17 |
| Complexity | 325.938 |
Chemical Identifiers
| CAS Number | 77248-50-1 |
|---|---|
| SMILES | C/C(=N/OC(=O)N(C)S(=O)SC(C)(C)C)/SC |
Product Overview
RefChem:1084411 (CAS 77248-50-1), with molecular formula C9H18N2O3S3 and molecular weight 298.05 g/mol. IUPAC: methyl (1Z)-N-[tert-butylsulfanylsulfinyl(methyl)carbamoyl]oxyethanimidothioate.
Chemical Property Profile of RefChem:1084411
Property Insights of RefChem:1084411
The XLogP value of 2.8616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084411. With a topological polar surface area (TPSA) of 58.97 Ų, RefChem:1084411 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084411 has 0 hydrogen bond donor(s) and 6 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 RefChem:1084411?
The CAS number of RefChem:1084411 is 77248-50-1.
What is the molecular formula of RefChem:1084411?
The molecular formula of RefChem:1084411 is C9H18N2O3S3.
What is the molecular weight of RefChem:1084411?
The molecular weight of RefChem:1084411 is 298.05 g/mol.
Where can I buy RefChem:1084411?
You can request a quote for RefChem:1084411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084411?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.