RefChem:371169
TL;DR: RefChem:371169 (CAS 4642-35-7) is a chemical compound with molecular formula C7H13N2O2PS4 and molecular weight 315.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: (5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-phosphorane, O,O-Dimethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate, Phosphorodithioic acid, O,O-dimethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) ester, s-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]methyl} o,o-dimethyl phosphorodithioate, (5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-
| Molecular Formula | C7H13N2O2PS4 |
|---|---|
| Molecular Weight | 315.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.95975 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 4642-35-7 |
|---|---|
| SMILES | CCSC1=NN=C(S1)CSP(=S)(OC)OC |
| InChIKey | UVYSGSMTBDHQNI-UHFFFAOYSA-N |
Product Overview
RefChem:371169 (CAS 4642-35-7), with molecular formula C7H13N2O2PS4 and molecular weight 315.96 g/mol. IUPAC: (5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of RefChem:371169
Property Insights of RefChem:371169
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371169. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:371169 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371169 has 0 hydrogen bond donor(s) and 8 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 RefChem:371169?
The CAS number of RefChem:371169 is 4642-35-7.
What is the molecular formula of RefChem:371169?
The molecular formula of RefChem:371169 is C7H13N2O2PS4.
What is the molecular weight of RefChem:371169?
The molecular weight of RefChem:371169 is 315.96 g/mol.
Where can I buy RefChem:371169?
You can request a quote for RefChem:371169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371169?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.