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Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate
TL;DR: Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate (CAS 677276-99-2) is a chemical compound with molecular formula C9H11NO3S2 and molecular weight 245.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(methoxycarbothioylamino)-4-methylthiophene-2-carboxylate
Also Known As: Maybridge3_001561, IDI1_012948, methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate, methyl 3-(methoxycarbothioylamino)-4-methylthiophene-2-carboxylate, methyl3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate
| Molecular Formula | C9H11NO3S2 |
|---|---|
| Molecular Weight | 245.02 g/mol |
| LogP | 2.18632 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.01804 |
| Heavy Atoms | 15 |
| Complexity | 386.70923 |
Chemical Identifiers
| CAS Number | 677276-99-2 |
|---|---|
| SMILES | CC1=CSC(=C1NC(=S)OC)C(=O)OC |
Product Overview
Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate (CAS 677276-99-2), with molecular formula C9H11NO3S2 and molecular weight 245.02 g/mol. IUPAC: methyl 3-(methoxycarbothioylamino)-4-methylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate
Property Insights of Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate
The XLogP value of 2.18632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate. With a topological polar surface area (TPSA) of 47.56 Ų, Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 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-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate?
The CAS number of Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate is 677276-99-2.
What is the molecular formula of Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate?
The molecular formula of Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate is C9H11NO3S2.
What is the molecular weight of Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate?
The molecular weight of Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate is 245.02 g/mol.
Where can I buy Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate?
You can request a quote for Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(methoxymethanethioyl)amino]-4-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.