![methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/5903/590357-59-8.webp)
methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 590357-59-8) is a chemical compound with molecular formula C21H27N3O4S3 and molecular weight 481.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[({2-[(4-tert-butylphenyl)sulfonyl]hydrazinyl}carbonothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(2-{[4-(tert-butyl)phenyl]sulfonyl}hydrazino)thioxomethyl]amino}-4, 5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H27N3O4S3 |
|---|---|
| Molecular Weight | 481.12 g/mol |
| LogP | 3.8909 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.11636 |
| Heavy Atoms | 31 |
| Complexity | 1084.3086 |
Chemical Identifiers
| CAS Number | 590357-59-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 590357-59-8), with molecular formula C21H27N3O4S3 and molecular weight 481.12 g/mol. IUPAC: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 3.8909 indicates that methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 3 hydrogen bond donor(s) and 6 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 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 590357-59-8.
What is the molecular formula of methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C21H27N3O4S3.
What is the molecular weight of methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 481.12 g/mol.
Where can I buy methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((4-(tert-butyl)phenyl)sulfonyl)hydrazinecarbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.