1,2-Cyclohexanedione dithiosemicarbazone
TL;DR: 1,2-Cyclohexanedione dithiosemicarbazone (CAS 19901-06-5) is a chemical compound with molecular formula C8H14N6S2 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea
Also Known As: 1,2-Cyclohexanedione dithiosemicarbazone, 1,2-Cyclohexanedione bis(thiosemicarbazone), J1.354.235J, 1,2-CYCLOHEXANEDIONE, BIS(THIOSEMICARBAZONE), ({2-[(carbamothioylamino)imino]cyclohexylidene}amino)thiourea
| Molecular Formula | C8H14N6S2 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | -0.0612 |
| Topological Polar Surface Area | 100.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.07214 |
| Heavy Atoms | 16 |
| Complexity | 314.43768 |
Chemical Identifiers
| CAS Number | 19901-06-5 |
|---|---|
| SMILES | C1CC/C(=N/NC(=S)N)/C(=N/NC(=S)N)/C1 |
Product Overview
1,2-Cyclohexanedione dithiosemicarbazone (CAS 19901-06-5), with molecular formula C8H14N6S2 and molecular weight 258.07 g/mol. IUPAC: [(Z)-[(2E)-2-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea.
Chemical Property Profile of 1,2-Cyclohexanedione dithiosemicarbazone
Property Insights of 1,2-Cyclohexanedione dithiosemicarbazone
The XLogP value of -0.0612 indicates that 1,2-Cyclohexanedione dithiosemicarbazone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Cyclohexanedione dithiosemicarbazone. Following Lipinski's Rule of Five, 1,2-Cyclohexanedione dithiosemicarbazone has 4 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 1,2-Cyclohexanedione dithiosemicarbazone?
The CAS number of 1,2-Cyclohexanedione dithiosemicarbazone is 19901-06-5.
What is the molecular formula of 1,2-Cyclohexanedione dithiosemicarbazone?
The molecular formula of 1,2-Cyclohexanedione dithiosemicarbazone is C8H14N6S2.
What is the molecular weight of 1,2-Cyclohexanedione dithiosemicarbazone?
The molecular weight of 1,2-Cyclohexanedione dithiosemicarbazone is 258.07 g/mol.
Where can I buy 1,2-Cyclohexanedione dithiosemicarbazone?
You can request a quote for 1,2-Cyclohexanedione dithiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Cyclohexanedione dithiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Cyclohexanedione dithiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.