4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide
TL;DR: 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide (CAS 139614-66-7) is a chemical compound with molecular formula C13H13N3OS2 and molecular weight 291.05002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-(thiophene-2-carbonylamino)thiourea
Also Known As: starbld0021311, 1-benzyl-3-(thiophene-2-carbonylamino)thiourea, 4-BENZYL-1-(THIOPHENE-2-CARBONYL)THIOSEMICARBAZIDE, N-[(benzylcarbamothioyl)amino]thiophene-2-carboxamide, N-benzyl-2-(thien-2-ylcarbonyl)hydrazinecarbothioamide
Technical Specifications
| Molecular Formula | C13H13N3OS2 |
| Molecular Weight | 291.05002 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.05002 Da |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
| SMILES | C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC=CS2 |
| InChIKey | KTDDISKKWZFBAD-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide
Property Insights of 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide. Following Lipinski's Rule of Five, 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide 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
What is the CAS number of 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide?
The CAS number of 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide is 139614-66-7.
What is the molecular formula of 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide?
The molecular formula of 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide is C13H13N3OS2.
What is the molecular weight of 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide?
The molecular weight of 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide is 291.05002 g/mol.
Where can I buy 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide?
You can request a quote for 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide?
Yes, CoreyChem provides custom synthesis services for 4-Benzyl-1-(thiophene-2-carbonyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.