2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide
TL;DR: 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide (CAS 588686-01-5) is a chemical compound with molecular formula C11H11N3OS2 and molecular weight 265.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophene-3-carbonylamino)-3-methylthiourea
Also Known As: AB01316855-02, 1-(1-benzothiophene-3-carbonylamino)-3-methylthiourea, 1-(benzothiophene-3-carbonylamino)-3-methyl-thiourea, 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide, Benzo[b]thiophene-3-carboxylic acid, 2-[(methylamino)thioxomethyl]hydrazide (9CI)
| Molecular Formula | C11H11N3OS2 |
|---|---|
| Molecular Weight | 265.03 g/mol |
| LogP | 1.64 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.03436 |
| Heavy Atoms | 17 |
| Complexity | 564.5968 |
Chemical Identifiers
| CAS Number | 588686-01-5 |
|---|---|
| SMILES | CNC(=S)NNC(=O)C1=CSC2=CC=CC=C21 |
Product Overview
2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide (CAS 588686-01-5), with molecular formula C11H11N3OS2 and molecular weight 265.03 g/mol. IUPAC: 1-(1-benzothiophene-3-carbonylamino)-3-methylthiourea.
Chemical Property Profile of 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide
Property Insights of 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide
The XLogP value of 1.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide. With a topological polar surface area (TPSA) of 53.16 Ų, 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide has 3 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 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide?
The CAS number of 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide is 588686-01-5.
What is the molecular formula of 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide?
The molecular formula of 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide is C11H11N3OS2.
What is the molecular weight of 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide?
The molecular weight of 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide is 265.03 g/mol.
Where can I buy 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide?
You can request a quote for 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-benzothiophen-3-ylcarbonyl)-N-methylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.