2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide
TL;DR: 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide (CAS 438231-10-8) is a chemical compound with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophene-3-carbonylamino)-3-butylthiourea
Also Known As: 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide, 1-(1-benzothiophene-3-carbonylamino)-3-butylthiourea, 2-(1-benzothiophen-3-ylcarbonyl)-N-butylhydrazinecarbothioamide, benzo[b]thiophen-3-yl-N-{[(butylamino)thioxomethyl]amino}carboxamide
| Molecular Formula | C14H17N3OS2 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 2.8103 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.0813 |
| Heavy Atoms | 20 |
| Complexity | 609.23975 |
Chemical Identifiers
| CAS Number | 438231-10-8 |
|---|---|
| SMILES | CCCCNC(=S)NNC(=O)C1=CSC2=CC=CC=C21 |
Product Overview
2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide (CAS 438231-10-8), with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol. IUPAC: 1-(1-benzothiophene-3-carbonylamino)-3-butylthiourea.
Chemical Property Profile of 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide
Property Insights of 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide
The XLogP value of 2.8103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide. With a topological polar surface area (TPSA) of 53.16 Ų, 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide 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-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide?
The CAS number of 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide is 438231-10-8.
What is the molecular formula of 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide?
The molecular formula of 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide is C14H17N3OS2.
What is the molecular weight of 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide?
The molecular weight of 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide is 307.08 g/mol.
Where can I buy 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide?
You can request a quote for 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-benzothien-3-ylcarbonyl)-N-butylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.