N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide
TL;DR: N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide (CAS 438232-93-0) is a chemical compound with molecular formula C14H21N3OS2 and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea
Also Known As: N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide, 1-(2-methylpropyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea, N-({[(2-methylpropyl)amino]thioxomethyl}amino)-4,5,6,7-tetrahydrobenzo[b]thiop hen-3-ylcarboxamide, N-(2-methylpropyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)hydrazinecarbothioamide
| Molecular Formula | C14H21N3OS2 |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 2.3918 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.1126 |
| Heavy Atoms | 20 |
| Complexity | 496.6085 |
Chemical Identifiers
| CAS Number | 438232-93-0 |
|---|---|
| SMILES | CC(C)CNC(=S)NNC(=O)C1=CSC2=C1CCCC2 |
Product Overview
N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide (CAS 438232-93-0), with molecular formula C14H21N3OS2 and molecular weight 311.11 g/mol. IUPAC: 1-(2-methylpropyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea.
Chemical Property Profile of N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide
Property Insights of N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide
The XLogP value of 2.3918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide. With a topological polar surface area (TPSA) of 53.16 Ų, N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide 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 N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide?
The CAS number of N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide is 438232-93-0.
What is the molecular formula of N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide?
The molecular formula of N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide is C14H21N3OS2.
What is the molecular weight of N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide?
The molecular weight of N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide is 311.11 g/mol.
Where can I buy N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide?
You can request a quote for N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-isobutyl-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.