4-Amino-2-benzylthio-5-nitrothiazole
TL;DR: 4-Amino-2-benzylthio-5-nitrothiazole (CAS 845879-11-0) is a chemical compound with molecular formula C10H9N3O2S2 and molecular weight 267.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-nitro-1,3-thiazol-4-amine
Also Known As: 4-Amino-2-benzylthio-5-nitrothiazole, 2-(Benzylthio)-5-nitrothiazol-4-amine, 2-benzylsulfanyl-5-nitro-1,3-thiazol-4-amine, 2-benzylsulfanyl-5-nitro-thiazol-4-amine, 4-amino-2-(benzylsulfanyl)-5-nitro-1,3-thiazole
| Molecular Formula | C10H9N3O2S2 |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 2.9258 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.0136 |
| Heavy Atoms | 17 |
| Complexity | 527.60223 |
Chemical Identifiers
| CAS Number | 845879-11-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=C(S2)[N+](=O)[O-])N |
Product Overview
4-Amino-2-benzylthio-5-nitrothiazole (CAS 845879-11-0), with molecular formula C10H9N3O2S2 and molecular weight 267.01 g/mol. IUPAC: 2-benzylsulfanyl-5-nitro-1,3-thiazol-4-amine.
Chemical Property Profile of 4-Amino-2-benzylthio-5-nitrothiazole
Property Insights of 4-Amino-2-benzylthio-5-nitrothiazole
The XLogP value of 2.9258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-benzylthio-5-nitrothiazole. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-benzylthio-5-nitrothiazole. Following Lipinski's Rule of Five, 4-Amino-2-benzylthio-5-nitrothiazole has 1 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 4-Amino-2-benzylthio-5-nitrothiazole?
The CAS number of 4-Amino-2-benzylthio-5-nitrothiazole is 845879-11-0.
What is the molecular formula of 4-Amino-2-benzylthio-5-nitrothiazole?
The molecular formula of 4-Amino-2-benzylthio-5-nitrothiazole is C10H9N3O2S2.
What is the molecular weight of 4-Amino-2-benzylthio-5-nitrothiazole?
The molecular weight of 4-Amino-2-benzylthio-5-nitrothiazole is 267.01 g/mol.
Where can I buy 4-Amino-2-benzylthio-5-nitrothiazole?
You can request a quote for 4-Amino-2-benzylthio-5-nitrothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-benzylthio-5-nitrothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-benzylthio-5-nitrothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.