3-[(5,5-dimethyl-2-sulfanylidene-1,3,2
TL;DR: 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2 (CAS 40561-93-1) is a chemical compound with molecular formula C8H14NO2PS2 and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]propanenitrile
Also Known As: 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2, 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-y, 3-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)sulfanyl]propanenitrile, 3-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda~5~-dioxaphosphinan-2-yl)sulfanyl]propanenitrile
| Molecular Formula | C8H14NO2PS2 |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.02036 |
| Heavy Atoms | 14 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 40561-93-1 |
|---|---|
| SMILES | CC1(COP(=S)(OC1)SCCC#N)C |
| InChIKey | SSMNWIATHDIMNW-UHFFFAOYSA-N |
Product Overview
3-[(5,5-dimethyl-2-sulfanylidene-1,3,2 (CAS 40561-93-1), with molecular formula C8H14NO2PS2 and molecular weight 251.02 g/mol. IUPAC: 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]propanenitrile.
Chemical Property Profile of 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2
Property Insights of 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2. Following Lipinski's Rule of Five, 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2 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 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2?
The CAS number of 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2 is 40561-93-1.
What is the molecular formula of 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2?
The molecular formula of 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2 is C8H14NO2PS2.
What is the molecular weight of 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2?
The molecular weight of 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2 is 251.02 g/mol.
Where can I buy 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2?
You can request a quote for 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5,5-dimethyl-2-sulfanylidene-1,3,2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.