![3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su structure](/static/products/6355/63551-52-0.webp)
3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su
TL;DR: 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su (CAS 63551-52-0) is a chemical compound with molecular formula C8H7N5O3S2 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su, 3-[(3-Methyl-2-nitro-imidazol-4-yl)methylideneamino]-2-sulfanylidene-thiazolidin-4-one, 3-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C8H7N5O3S2 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.99902 |
| Heavy Atoms | 18 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 63551-52-0 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])C=NN2C(=O)CSC2=S |
| InChIKey | ANRAQRLETFNJPA-UHFFFAOYSA-N |
Product Overview
3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su (CAS 63551-52-0), with molecular formula C8H7N5O3S2 and molecular weight 285.00 g/mol. IUPAC: 3-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su
Property Insights of 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su. The TPSA of 154.0 Ų indicates high polarity, suggesting 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su has 0 hydrogen bond donor(s) and 7 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 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su?
The CAS number of 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su is 63551-52-0.
What is the molecular formula of 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su?
The molecular formula of 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su is C8H7N5O3S2.
What is the molecular weight of 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su?
The molecular weight of 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su is 285.00 g/mol.
Where can I buy 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su?
You can request a quote for 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su?
Yes, KEHONG BIO provides custom synthesis services for 3-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-su and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.