Methyl 3-thienylcarbamate
TL;DR: Methyl 3-thienylcarbamate (CAS 698-77-1) is a chemical compound with molecular formula C6H7NO2S and molecular weight 157.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-thiophen-3-ylcarbamate
Also Known As: methyl 3-thienylcarbamate, thien-4-yl methyl carbamate, methyl N-thiophen-3-ylcarbamate, methoxy-N-(3-thienyl)carboxamide, thiophen-3-yl-carbamic acid methyl ester
| Molecular Formula | C6H7NO2S |
|---|---|
| Molecular Weight | 157.02 g/mol |
| LogP | 1.9264 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.01974 |
| Heavy Atoms | 10 |
| Complexity | 207.53221 |
Chemical Identifiers
| CAS Number | 698-77-1 |
|---|---|
| SMILES | COC(=O)NC1=CSC=C1 |
Product Overview
Methyl 3-thienylcarbamate (CAS 698-77-1), with molecular formula C6H7NO2S and molecular weight 157.02 g/mol. IUPAC: methyl N-thiophen-3-ylcarbamate.
Chemical Property Profile of Methyl 3-thienylcarbamate
Property Insights of Methyl 3-thienylcarbamate
The XLogP value of 1.9264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-thienylcarbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl 3-thienylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-thienylcarbamate 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 3-thienylcarbamate?
The CAS number of Methyl 3-thienylcarbamate is 698-77-1.
What is the molecular formula of Methyl 3-thienylcarbamate?
The molecular formula of Methyl 3-thienylcarbamate is C6H7NO2S.
What is the molecular weight of Methyl 3-thienylcarbamate?
The molecular weight of Methyl 3-thienylcarbamate is 157.02 g/mol.
Where can I buy Methyl 3-thienylcarbamate?
You can request a quote for Methyl 3-thienylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-thienylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-thienylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.