p-Xylylenebis(O-methylxanthate)
TL;DR: p-Xylylenebis(O-methylxanthate) (CAS 73771-65-0) is a chemical compound with molecular formula C12H14O2S4 and molecular weight 317.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl [4-(methoxycarbothioylsulfanylmethyl)phenyl]methylsulfanylmethanethioate
Also Known As: p-Xylylenebis(O-methylxanthate), Xantic acid, p-xylylenebis-, O-methyl ester, 4-06-00-05973 (Beilstein Handbook Reference), CARBONIC ACID, p-XYLYLENEBIS(DITHIO-, O,O'-DIMETHYL ESTER, O-methyl [4-(methoxycarbothioylsulfanylmethyl)phenyl]methylsulfanylmethanethioate
| Molecular Formula | C12H14O2S4 |
|---|---|
| Molecular Weight | 317.99 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 317.98767 |
| Heavy Atoms | 18 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 73771-65-0 |
|---|---|
| SMILES | COC(=S)SCC1=CC=C(C=C1)CSC(=S)OC |
| InChIKey | CAIJEQKSVNIRBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Xylylenebis(O-methylxanthate) (CAS 73771-65-0), with molecular formula C12H14O2S4 and molecular weight 317.99 g/mol. IUPAC: O-methyl [4-(methoxycarbothioylsulfanylmethyl)phenyl]methylsulfanylmethanethioate.
Chemical Property Profile of p-Xylylenebis(O-methylxanthate)
Property Insights of p-Xylylenebis(O-methylxanthate)
The XLogP value of 4.4 indicates that p-Xylylenebis(O-methylxanthate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Xylylenebis(O-methylxanthate). Following Lipinski's Rule of Five, p-Xylylenebis(O-methylxanthate) has 0 hydrogen bond donor(s) and 6 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 p-Xylylenebis(O-methylxanthate)?
The CAS number of p-Xylylenebis(O-methylxanthate) is 73771-65-0.
What is the molecular formula of p-Xylylenebis(O-methylxanthate)?
The molecular formula of p-Xylylenebis(O-methylxanthate) is C12H14O2S4.
What is the molecular weight of p-Xylylenebis(O-methylxanthate)?
The molecular weight of p-Xylylenebis(O-methylxanthate) is 317.99 g/mol.
Where can I buy p-Xylylenebis(O-methylxanthate)?
You can request a quote for p-Xylylenebis(O-methylxanthate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Xylylenebis(O-methylxanthate)?
Yes, KEHONG BIO provides custom synthesis services for p-Xylylenebis(O-methylxanthate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.