![[Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide structure](/static/products/668/66880-22-6.png)
[Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide
TL;DR: [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide (CAS 66880-22-6) 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.
[methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide
Also Known As: 4-nitrobenzyl methyl cyanodithioimidocarbonate, AE-534/30091004, [methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide
| Molecular Formula | C10H9N3O2S2 |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 3.02808 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0136 |
| Heavy Atoms | 17 |
| Complexity | 465.4345 |
Chemical Identifiers
| CAS Number | 66880-22-6 |
|---|---|
| SMILES | CSC(=NC#N)SCC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
[Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide (CAS 66880-22-6), with molecular formula C10H9N3O2S2 and molecular weight 267.01 g/mol. IUPAC: [methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide.
Chemical Property Profile of [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide
Property Insights of [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide
The XLogP value of 3.02808 indicates that [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide. Following Lipinski's Rule of Five, [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide has 0 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 [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide?
The CAS number of [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide is 66880-22-6.
What is the molecular formula of [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide?
The molecular formula of [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide is C10H9N3O2S2.
What is the molecular weight of [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide?
The molecular weight of [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide is 267.01 g/mol.
Where can I buy [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide?
You can request a quote for [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide?
Yes, KEHONG BIO provides custom synthesis services for [Methylsulfanyl-[(4-nitrophenyl)methylsulfanyl]methylidene]cyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.