Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel
TL;DR: Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel (CAS 76984-10-6) is a chemical compound with molecular formula C14H20N2NiS4 and molecular weight 401.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N,N-bis(prop-2-enyl)carbamodithioate);nickel(2+)
Also Known As: starbld0007482, Bis((diallylcarbamothioyl)thio)nickel, Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel, N,N-bis(prop-2-enyl)carbamodithioate;nickel(2+), IUPAC: (diprop-2-enylamino)methanedithioate; Nickel(+2) Cation
| Molecular Formula | C14H20N2NiS4 |
|---|---|
| Molecular Weight | 401.99 g/mol |
| LogP | 2.9819 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.98627 |
| Heavy Atoms | 21 |
| Complexity | 304.88318 |
Chemical Identifiers
| CAS Number | 76984-10-6 |
|---|---|
| SMILES | C=CCN(CC=C)C(=S)[S-].C=CCN(CC=C)C(=S)[S-].[Ni+2] |
Product Overview
Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel (CAS 76984-10-6), with molecular formula C14H20N2NiS4 and molecular weight 401.99 g/mol. IUPAC: bis(N,N-bis(prop-2-enyl)carbamodithioate);nickel(2+).
Chemical Property Profile of Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel
Property Insights of Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel
The XLogP value of 2.9819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel. With a topological polar surface area (TPSA) of 6.48 Ų, Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel 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 Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel?
The CAS number of Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel is 76984-10-6.
What is the molecular formula of Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel?
The molecular formula of Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel is C14H20N2NiS4.
What is the molecular weight of Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel?
The molecular weight of Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel is 401.99 g/mol.
Where can I buy Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel?
You can request a quote for Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel?
Yes, KEHONG BIO provides custom synthesis services for Bis({[bis(prop-2-en-1-yl)carbamothioyl]sulfanyl})nickel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.