(5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate
TL;DR: (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate (CAS 353254-67-8) is a chemical compound with molecular formula C14H13Cl2N3S and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate
Also Known As: (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate, 1-Cyano-2-(5,5-dichloro-2-methylpenta-2,4-dienyl)-3-phenylisothiourea, [(2E)-5,5-dichloro-2-methylpenta-2,4-dienyl] N-cyano-N'-phenylcarbamimidothioate, 2-Propenoic acid,polymer with 1,3-butadiene,ethenylbenzene and 2-propenamide, 5,5-Dichloro-2-methylpenta-2,4-dien-1-yl N-cyano-N'-phenylcarbamimidothioate
| Molecular Formula | C14H13Cl2N3S |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.02072 |
| Heavy Atoms | 20 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 353254-67-8 |
|---|---|
| SMILES | CC(=CC=C(Cl)Cl)CSC(=NC1=CC=CC=C1)NC#N |
| InChIKey | SSODMVZCQREEPH-UHFFFAOYSA-N |
Product Overview
(5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate (CAS 353254-67-8), with molecular formula C14H13Cl2N3S and molecular weight 325.02 g/mol. IUPAC: (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate.
Chemical Property Profile of (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate
Property Insights of (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate
The XLogP value of 5.4 indicates that (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate. Following Lipinski's Rule of Five, (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate?
The CAS number of (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate is 353254-67-8.
What is the molecular formula of (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate?
The molecular formula of (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate is C14H13Cl2N3S.
What is the molecular weight of (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate?
The molecular weight of (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate is 325.02 g/mol.
Where can I buy (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate?
You can request a quote for (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (5,5-dichloro-2-methylpenta-2,4-dienyl) N-cyano-N'-phenylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.