1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea
TL;DR: 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea (CAS 443652-87-7) is a chemical compound with molecular formula C11H13N3O5S2 and molecular weight 331.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea
Also Known As: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea, 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxy-5-nitro-phenyl)thiourea, 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea, 3-({[(2-hydroxy-5-nitrophenyl)amino]thioxomethyl}amino)thiolane-1,1-dione
| Molecular Formula | C11H13N3O5S2 |
|---|---|
| Molecular Weight | 331.03 g/mol |
| LogP | 0.7739 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.02966 |
| Heavy Atoms | 21 |
| Complexity | 689.0992 |
Chemical Identifiers
| CAS Number | 443652-87-7 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O |
Product Overview
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea (CAS 443652-87-7), with molecular formula C11H13N3O5S2 and molecular weight 331.03 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea.
Chemical Property Profile of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea
Property Insights of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea
The XLogP value of 0.7739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea has 3 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-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea?
The CAS number of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea is 443652-87-7.
What is the molecular formula of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea?
The molecular formula of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea is C11H13N3O5S2.
What is the molecular weight of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea?
The molecular weight of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea is 331.03 g/mol.
Where can I buy 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea?
You can request a quote for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-hydroxy-5-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.