1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea
TL;DR: 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea (CAS 77594-94-6) is a chemical compound with molecular formula C10H12ClN3O3S and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea
Also Known As: 1- -3- thiourea, EINECS 278-730-6, 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea, N-(2-chloro-5-nitrophenyl)-N'-(3-hydroxypropyl)thiourea, 3-(2-chloro-5-nitrophenyl)-1-(3-hydroxypropyl)thiourea
| Molecular Formula | C10H12ClN3O3S |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 1.917 |
| Topological Polar Surface Area | 87.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.02878 |
| Heavy Atoms | 18 |
| Complexity | 455.99408 |
Chemical Identifiers
| CAS Number | 77594-94-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])NC(=S)NCCCO)Cl |
Product Overview
1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea (CAS 77594-94-6), with molecular formula C10H12ClN3O3S and molecular weight 289.03 g/mol. IUPAC: 1-(2-chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea.
Chemical Property Profile of 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea
Property Insights of 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea
The XLogP value of 1.917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea. The TPSA of 87.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea. Following Lipinski's Rule of Five, 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea 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 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea?
The CAS number of 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea is 77594-94-6.
What is the molecular formula of 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea?
The molecular formula of 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea is C10H12ClN3O3S.
What is the molecular weight of 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea?
The molecular weight of 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea is 289.03 g/mol.
Where can I buy 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea?
You can request a quote for 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.