![N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide structure](/static/products/4310/431070-45-0.webp)
N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide
TL;DR: N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide (CAS 431070-45-0) is a chemical compound with molecular formula C12H8ClFN2OS2 and molecular weight 313.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide
Also Known As: UPCMLD0ENAT5880737:001, AB00114626-01, N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide
| Molecular Formula | C12H8ClFN2OS2 |
|---|---|
| Molecular Weight | 313.98 g/mol |
| LogP | 3.6674 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.97507 |
| Heavy Atoms | 19 |
| Complexity | 616.1969 |
Chemical Identifiers
| CAS Number | 431070-45-0 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl |
Product Overview
N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide (CAS 431070-45-0), with molecular formula C12H8ClFN2OS2 and molecular weight 313.98 g/mol. IUPAC: N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide
Property Insights of N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide
The XLogP value of 3.6674 indicates that N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide has 2 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 N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide?
The CAS number of N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide is 431070-45-0.
What is the molecular formula of N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide?
The molecular formula of N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide is C12H8ClFN2OS2.
What is the molecular weight of N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide?
The molecular weight of N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide is 313.98 g/mol.
Where can I buy N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide?
You can request a quote for N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide 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)carbamothioyl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.