S,S-diethyl carbamodithioate
TL;DR: S,S-diethyl carbamodithioate (CAS 623-80-3) is a chemical compound with molecular formula C5H10OS2 and molecular weight 150.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(ethylsulfanyl)methanone
Also Known As: S,S'-Diethyl Dithiocarbonate, bis(ethylsulfanyl)methanone, S,S-DIETHYL CARBAMODITHIOATE, S,S-Diethyl dithiocarbonate, DITHIOCARBONIC ACID S,S-DIETHYL ESTER
| Molecular Formula | C5H10OS2 |
|---|---|
| Molecular Weight | 150.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.0173 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 623-80-3 |
|---|---|
| SMILES | CCSC(=O)SCC |
| InChIKey | MBUCFVKJCBBWRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S,S-diethyl carbamodithioate (CAS 623-80-3), with molecular formula C5H10OS2 and molecular weight 150.02 g/mol. IUPAC: bis(ethylsulfanyl)methanone.
Chemical Property Profile of S,S-diethyl carbamodithioate
Property Insights of S,S-diethyl carbamodithioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S,S-diethyl carbamodithioate. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S,S-diethyl carbamodithioate. Following Lipinski's Rule of Five, S,S-diethyl carbamodithioate has 0 hydrogen bond donor(s) and 3 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 S,S-diethyl carbamodithioate?
The CAS number of S,S-diethyl carbamodithioate is 623-80-3.
What is the molecular formula of S,S-diethyl carbamodithioate?
The molecular formula of S,S-diethyl carbamodithioate is C5H10OS2.
What is the molecular weight of S,S-diethyl carbamodithioate?
The molecular weight of S,S-diethyl carbamodithioate is 150.02 g/mol.
Where can I buy S,S-diethyl carbamodithioate?
You can request a quote for S,S-diethyl carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S-diethyl carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for S,S-diethyl carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.