![N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide structure](/static/products/4262/426243-75-6.webp)
N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
TL;DR: N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide (CAS 426243-75-6) is a chemical compound with molecular formula C12H8ClN3O3S2 and molecular weight 340.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
Also Known As: N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide, 1-(4-CHLORO-3-NITROPHENYL)-3-(THIOPHENE-2-CARBONYL)THIOUREA
| Molecular Formula | C12H8ClN3O3S2 |
|---|---|
| Molecular Weight | 340.97 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.96957 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 426243-75-6 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | HOJVLMABVGRNCA-UHFFFAOYSA-N |
Product Overview
N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide (CAS 426243-75-6), with molecular formula C12H8ClN3O3S2 and molecular weight 340.97 g/mol. IUPAC: N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
Property Insights of N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
The XLogP value of 4.0 indicates that N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide has 2 hydrogen bond donor(s) and 5 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-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
The CAS number of N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is 426243-75-6.
What is the molecular formula of N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
The molecular formula of N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is C12H8ClN3O3S2.
What is the molecular weight of N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
The molecular weight of N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is 340.97 g/mol.
Where can I buy N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
You can request a quote for N-[(4-chloro-3-nitrophenyl)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-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chloro-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.