![2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/321/321579-51-5.png)
2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 321579-51-5) is a chemical compound with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AN-329/40257622, 2-[(anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(anilinocarbonothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(phenylamino)thioxomethyl]amino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-car boxamide
| Molecular Formula | C16H17N3OS2 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0813 |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 321579-51-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=CC=C3)C(=O)N |
| InChIKey | BTSDDJSLAJOCKS-UHFFFAOYSA-N |
Product Overview
2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 321579-51-5), with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol. IUPAC: 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 3.8 indicates that 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 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-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 321579-51-5.
What is the molecular formula of 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C16H17N3OS2.
What is the molecular weight of 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 331.08 g/mol.
Where can I buy 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Anilinocarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.