(3-Fluorophenyl) methyl cyanocarbonimidodithioate
TL;DR: (3-Fluorophenyl) methyl cyanocarbonimidodithioate (CAS 152382-01-9) is a chemical compound with molecular formula C9H7FN2S2 and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-fluorophenyl)sulfanyl-methylsulfanylmethylidene]cyanamide
Also Known As: (3-Fluorophenyl) methyl cyanocarbonimidodithioate, [(3-fluorophenyl)sulfanyl-methylsulfanylmethylidene]cyanamide, (fluorophenyl) methyl cyanocarbonimidodithioate, 3-Fluorophenyl methyl cyanocarbonodithioimidate, 3-fluorophenyl methyl cyanodithioimidocarbonate
| Molecular Formula | C9H7FN2S2 |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 3.11788 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.00346 |
| Heavy Atoms | 14 |
| Complexity | 384.6435 |
Chemical Identifiers
| CAS Number | 152382-01-9 |
|---|---|
| SMILES | CSC(=NC#N)SC1=CC=CC(=C1)F |
Product Overview
(3-Fluorophenyl) methyl cyanocarbonimidodithioate (CAS 152382-01-9), with molecular formula C9H7FN2S2 and molecular weight 226.00 g/mol. IUPAC: [(3-fluorophenyl)sulfanyl-methylsulfanylmethylidene]cyanamide.
Chemical Property Profile of (3-Fluorophenyl) methyl cyanocarbonimidodithioate
Property Insights of (3-Fluorophenyl) methyl cyanocarbonimidodithioate
The XLogP value of 3.11788 indicates that (3-Fluorophenyl) methyl cyanocarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.15 Ų, (3-Fluorophenyl) methyl cyanocarbonimidodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Fluorophenyl) methyl cyanocarbonimidodithioate has 0 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 (3-Fluorophenyl) methyl cyanocarbonimidodithioate?
The CAS number of (3-Fluorophenyl) methyl cyanocarbonimidodithioate is 152382-01-9.
What is the molecular formula of (3-Fluorophenyl) methyl cyanocarbonimidodithioate?
The molecular formula of (3-Fluorophenyl) methyl cyanocarbonimidodithioate is C9H7FN2S2.
What is the molecular weight of (3-Fluorophenyl) methyl cyanocarbonimidodithioate?
The molecular weight of (3-Fluorophenyl) methyl cyanocarbonimidodithioate is 226.00 g/mol.
Where can I buy (3-Fluorophenyl) methyl cyanocarbonimidodithioate?
You can request a quote for (3-Fluorophenyl) methyl cyanocarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Fluorophenyl) methyl cyanocarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for (3-Fluorophenyl) methyl cyanocarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.