![N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide structure](/static/products/127/127981-99-1.webp)
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide
TL;DR: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide (CAS 127981-99-1) is a chemical compound with molecular formula C12H13N3OS2 and molecular weight 279.05002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide
Also Known As: 2-Thiophenethiol,3,4,5-trichloro, AN-329/42504557, N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide, N-acetyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea, N-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)acetamide
Technical Specifications
| Molecular Formula | C12H13N3OS2 |
| Molecular Weight | 279.05002 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.05002 Da |
| Heavy Atoms | 18 |
| Complexity | 403.0 |
| SMILES | CC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N |
| InChIKey | YXKGEVXNHFFZET-UHFFFAOYSA-N |
Chemical Property Profile of N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide
Property Insights of N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide. Following Lipinski's Rule of Five, N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide?
The CAS number of N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide is 127981-99-1.
What is the molecular formula of N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide?
The molecular formula of N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide is C12H13N3OS2.
What is the molecular weight of N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide?
The molecular weight of N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide is 279.05002 g/mol.
Where can I buy N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide?
You can request a quote for N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide?
Yes, CoreyChem provides custom synthesis services for N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.