Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester
TL;DR: Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester (CAS 13997-95-0) is a chemical compound with molecular formula C8H10N2S2 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enylsulfanyl)methylidenecyanamide
Also Known As: bis(prop-2-enylsulfanyl)methylidenecyanamide, Carbonimidodithioic acid, cyano-, di-2-propenyl ester, diprop-2-en-1-yl cyanocarbonodithioimidate, [bis(prop-2-enylsulfanyl)methylideneamino]formonitrile, Di(prop-2-en-1-yl) cyanocarbonodithioimidate
| Molecular Formula | C8H10N2S2 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.02853 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 13997-95-0 |
|---|---|
| SMILES | C=CCSC(=NC#N)SCC=C |
| InChIKey | ITZIFGHDBMXDGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester (CAS 13997-95-0), with molecular formula C8H10N2S2 and molecular weight 198.03 g/mol. IUPAC: bis(prop-2-enylsulfanyl)methylidenecyanamide.
Chemical Property Profile of Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester
Property Insights of Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester
The XLogP value of 3.2 indicates that Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl 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-, di-2-propen-1-yl ester. Following Lipinski's Rule of Five, Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester 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 Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester?
The CAS number of Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester is 13997-95-0.
What is the molecular formula of Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester?
The molecular formula of Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester is C8H10N2S2.
What is the molecular weight of Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester?
The molecular weight of Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester is 198.03 g/mol.
Where can I buy Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester?
You can request a quote for Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl 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-, di-2-propen-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.