Vancide 51
TL;DR: Vancide 51 (CAS 8000-96-2) is a chemical compound with molecular formula C10H10N2Na2S4 and molecular weight 331.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1,3-benzothiazole-2-thiolate;N,N-dimethylcarbamodithioate
Also Known As: Vancide 51, disodium; 1,3-benzothiazole-2-thiolate; N,N-dimethylcarbamodithioate, Sodium dimethyldithiocarbamate mixt. with sodium 2-mercaptobenzothiazole, Carbamodithioic acid, dimethyl-, sodium salt, mixt. with 2(3H)-benzothiazolethione, sodium salt, Carbamodithioic acid, dimethyl-, sodium salt, mixt. with 2(3H)-benzothiazolethione sodium salt
| Molecular Formula | C10H10N2Na2S4 |
|---|---|
| Molecular Weight | 331.95 g/mol |
| LogP | -3.41 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 331.9522 |
| Heavy Atoms | 18 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 8000-96-2 |
|---|---|
| SMILES | CN(C)C(=S)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Na+].[Na+] |
| InChIKey | PEADDLPQCFLFIU-UHFFFAOYSA-L |
Product Overview
Vancide 51 (CAS 8000-96-2), with molecular formula C10H10N2Na2S4 and molecular weight 331.95 g/mol. IUPAC: disodium;1,3-benzothiazole-2-thiolate;N,N-dimethylcarbamodithioate.
Chemical Property Profile of Vancide 51
Property Insights of Vancide 51
The XLogP value of -3.41 indicates that Vancide 51 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Vancide 51. Following Lipinski's Rule of Five, Vancide 51 has 0 hydrogen bond donor(s) and 5 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 Vancide 51?
The CAS number of Vancide 51 is 8000-96-2.
What is the molecular formula of Vancide 51?
The molecular formula of Vancide 51 is C10H10N2Na2S4.
What is the molecular weight of Vancide 51?
The molecular weight of Vancide 51 is 331.95 g/mol.
Where can I buy Vancide 51?
You can request a quote for Vancide 51 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vancide 51?
Yes, KEHONG BIO provides custom synthesis services for Vancide 51 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.