Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester
TL;DR: Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester (CAS 60222-99-3) is a chemical compound with molecular formula C8H10Br4N2S2 and molecular weight 513.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,3-dibromopropylsulfanyl)methylidenecyanamide
Also Known As: 3-ethoxypropylbenzene, Cyanocarbonimidodithioicacidbis ester, bis(2,3-dibromopropyl) cyanocarbonodithioimidate, Carbonimidodithioic acid, cyano-, bis(2,3-dibromopropyl) ester, bis(2,3-dibromopropylsulfanyl)methylidenecyanamide
| Molecular Formula | C8H10Br4N2S2 |
|---|---|
| Molecular Weight | 513.70 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.6978 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 60222-99-3 |
|---|---|
| SMILES | C(C(CBr)Br)SC(=NC#N)SCC(CBr)Br |
| InChIKey | LIHVYIJZAPOEDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester (CAS 60222-99-3), with molecular formula C8H10Br4N2S2 and molecular weight 513.70 g/mol. IUPAC: bis(2,3-dibromopropylsulfanyl)methylidenecyanamide.
Chemical Property Profile of Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester
Property Insights of Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester
The XLogP value of 5.1 indicates that Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester. Following Lipinski's Rule of Five, Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester?
The CAS number of Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester is 60222-99-3.
What is the molecular formula of Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester?
The molecular formula of Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester is C8H10Br4N2S2.
What is the molecular weight of Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester?
The molecular weight of Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester is 513.70 g/mol.
Where can I buy Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester?
You can request a quote for Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonimidodithioic acid, N-cyano-, bis(2,3-dibromopropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.