Quobcvisqapsfg-uhfffaoysa-
TL;DR: Quobcvisqapsfg-uhfffaoysa- (CAS 2080-63-9) is a chemical compound with molecular formula C6H5NO2S2 and molecular weight 186.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-2-(1,3-dithiolan-2-ylidene)acetic acid
Also Known As: QUOBCVISQAPSFG-UHFFFAOYSA-, 1,3-dithiolan-2-ylidenecyanoacetic acid, 2-cyano-2-(1,3-dithiolan-2-ylidene)acetic Acid, InChI=1/C6H5NO2S2/c7-3-4(5(8)9)6-10-1-2-11-6/h1-2H2,(H,8,9)
| Molecular Formula | C6H5NO2S2 |
|---|---|
| Molecular Weight | 186.98 g/mol |
| LogP | 1.28618 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.97617 |
| Heavy Atoms | 11 |
| Complexity | 245.79813 |
Chemical Identifiers
| CAS Number | 2080-63-9 |
|---|---|
| SMILES | C1CSC(=C(C#N)C(=O)O)S1 |
Product Overview
Quobcvisqapsfg-uhfffaoysa- (CAS 2080-63-9), with molecular formula C6H5NO2S2 and molecular weight 186.98 g/mol. IUPAC: 2-cyano-2-(1,3-dithiolan-2-ylidene)acetic acid.
Chemical Property Profile of Quobcvisqapsfg-uhfffaoysa-
Property Insights of Quobcvisqapsfg-uhfffaoysa-
The XLogP value of 1.28618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quobcvisqapsfg-uhfffaoysa-. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Quobcvisqapsfg-uhfffaoysa-. Following Lipinski's Rule of Five, Quobcvisqapsfg-uhfffaoysa- has 1 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 Quobcvisqapsfg-uhfffaoysa-?
The CAS number of Quobcvisqapsfg-uhfffaoysa- is 2080-63-9.
What is the molecular formula of Quobcvisqapsfg-uhfffaoysa-?
The molecular formula of Quobcvisqapsfg-uhfffaoysa- is C6H5NO2S2.
What is the molecular weight of Quobcvisqapsfg-uhfffaoysa-?
The molecular weight of Quobcvisqapsfg-uhfffaoysa- is 186.98 g/mol.
Where can I buy Quobcvisqapsfg-uhfffaoysa-?
You can request a quote for Quobcvisqapsfg-uhfffaoysa- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quobcvisqapsfg-uhfffaoysa-?
Yes, KEHONG BIO provides custom synthesis services for Quobcvisqapsfg-uhfffaoysa- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.