METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE
TL;DR: METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE (CAS 1024572-87-9) is a chemical compound with molecular formula C13H10ClN3O4S2 and molecular weight 370.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE, methyl 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate, methyl 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate, Methyl 2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylate, methyl 2-{[(2-chloro-5-nitrophenyl)carbamothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C13H10ClN3O4S2 |
|---|---|
| Molecular Weight | 370.98 g/mol |
| LogP | 3.9052 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.98013 |
| Heavy Atoms | 23 |
| Complexity | 778.33014 |
Chemical Identifiers
| CAS Number | 1024572-87-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Product Overview
METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE (CAS 1024572-87-9), with molecular formula C13H10ClN3O4S2 and molecular weight 370.98 g/mol. IUPAC: methyl 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE
Property Insights of METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE
The XLogP value of 3.9052 indicates that METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE. Following Lipinski's Rule of Five, METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE has 2 hydrogen bond donor(s) and 6 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 METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE?
The CAS number of METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE is 1024572-87-9.
What is the molecular formula of METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE?
The molecular formula of METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE is C13H10ClN3O4S2.
What is the molecular weight of METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE?
The molecular weight of METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE is 370.98 g/mol.
Where can I buy METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE?
You can request a quote for METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-((((2-CHLORO-5-NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.