1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene
TL;DR: 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene (CAS 65671-10-5) is a chemical compound with molecular formula C12H15N3O4S2 and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(2-nitro-5-propylsulfanylphenyl)carbamothioyl]carbamate
Also Known As: starbld0048559, 1-(3-carbomethoxythioureido)-2-nitro-5-propylthiobenzene, methyl N-[(2-nitro-5-propylsulfanylphenyl)carbamothioyl]carbamate, N-[[[2-Nitro-5-(propylthio)phenyl]amino]thioxomethyl]carbamic Acid Methyl Ester, [[2-Nitro-5-(propylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester
| Molecular Formula | C12H15N3O4S2 |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 3.1497 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.05038 |
| Heavy Atoms | 21 |
| Complexity | 551.30414 |
Chemical Identifiers
| CAS Number | 65671-10-5 |
|---|---|
| SMILES | CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)OC |
Product Overview
1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene (CAS 65671-10-5), with molecular formula C12H15N3O4S2 and molecular weight 329.05 g/mol. IUPAC: methyl N-[(2-nitro-5-propylsulfanylphenyl)carbamothioyl]carbamate.
Chemical Property Profile of 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene
Property Insights of 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene
The XLogP value of 3.1497 indicates that 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene 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 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene. Following Lipinski's Rule of Five, 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene 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 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene?
The CAS number of 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene is 65671-10-5.
What is the molecular formula of 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene?
The molecular formula of 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene is C12H15N3O4S2.
What is the molecular weight of 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene?
The molecular weight of 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene is 329.05 g/mol.
Where can I buy 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene?
You can request a quote for 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Carbomethoxythioureido)-2-nitro-5-propylthiobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.