methyl N-(1-methylthio-1-iminomethyl)-carbamate
TL;DR: methyl N-(1-methylthio-1-iminomethyl)-carbamate (CAS 39598-39-5) is a chemical compound with molecular formula C4H8N2O2S and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (NE)-N-[amino(methylsulfanyl)methylidene]carbamate
Also Known As: N-carbomethoxy-S-methylisothiourea, methyl N-(1-methylthio-1-iminomethyl)-carbamate, methyl[amino(methylsulfanyl)methylidene]carbamate, methyl (NE)-N-[amino(methylsulfanyl)methylidene]carbamate, Methyl N-(1-Amino-1-methylthiolmethylene)carbamate
| Molecular Formula | C4H8N2O2S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 0.4305 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.03065 |
| Heavy Atoms | 9 |
| Complexity | 134.52933 |
Chemical Identifiers
| CAS Number | 39598-39-5 |
|---|---|
| SMILES | COC(=O)/N=C(\N)/SC |
Product Overview
methyl N-(1-methylthio-1-iminomethyl)-carbamate (CAS 39598-39-5), with molecular formula C4H8N2O2S and molecular weight 148.03 g/mol. IUPAC: methyl (NE)-N-[amino(methylsulfanyl)methylidene]carbamate.
Chemical Property Profile of methyl N-(1-methylthio-1-iminomethyl)-carbamate
Property Insights of methyl N-(1-methylthio-1-iminomethyl)-carbamate
The XLogP value of 0.4305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(1-methylthio-1-iminomethyl)-carbamate. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(1-methylthio-1-iminomethyl)-carbamate. Following Lipinski's Rule of Five, methyl N-(1-methylthio-1-iminomethyl)-carbamate has 1 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 methyl N-(1-methylthio-1-iminomethyl)-carbamate?
The CAS number of methyl N-(1-methylthio-1-iminomethyl)-carbamate is 39598-39-5.
What is the molecular formula of methyl N-(1-methylthio-1-iminomethyl)-carbamate?
The molecular formula of methyl N-(1-methylthio-1-iminomethyl)-carbamate is C4H8N2O2S.
What is the molecular weight of methyl N-(1-methylthio-1-iminomethyl)-carbamate?
The molecular weight of methyl N-(1-methylthio-1-iminomethyl)-carbamate is 148.03 g/mol.
Where can I buy methyl N-(1-methylthio-1-iminomethyl)-carbamate?
You can request a quote for methyl N-(1-methylthio-1-iminomethyl)-carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(1-methylthio-1-iminomethyl)-carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(1-methylthio-1-iminomethyl)-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.