N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide
TL;DR: N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide (CAS 329697-92-9) is a chemical compound with molecular formula C12H9ClFN3OS2 and molecular weight 328.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(thiophene-3-carbonylamino)thiourea
Also Known As: N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide, N-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}thiophene-3-carboxamide, 1-(3-chloro-4-fluorophenyl)-3-(thiophene-3-carbonylamino)thiourea, 1-(3-chloro-4-fluoro-phenyl)-3-(thiophene-3-carbonylamino)thiourea, N-({[(3-chloro-4-fluorophenyl)amino]thioxomethyl}amino)-3-thienylcarboxamide
| Molecular Formula | C12H9ClFN3OS2 |
|---|---|
| Molecular Weight | 328.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.98596 |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 329697-92-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=S)NNC(=O)C2=CSC=C2)Cl)F |
| InChIKey | HVNOGPQZZKAWSG-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide (CAS 329697-92-9), with molecular formula C12H9ClFN3OS2 and molecular weight 328.99 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(thiophene-3-carbonylamino)thiourea.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide
Property Insights of N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide
The XLogP value of 3.1 indicates that N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide has 3 hydrogen bond donor(s) and 4 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-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide is 329697-92-9.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide is C12H9ClFN3OS2.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide is 328.99 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-2-(3-thienylcarbonyl)-1-hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.