二苯甲酰二硫
TL;DR: 二苯甲酰二硫 (CAS 644-32-6) is a chemical compound with molecular formula C14H10O2S2 and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯甲酰二硫
S-benzoylsulfanyl benzenecarbothioate
Also Known As: Benzoyl disulfide, Dibenzoyl disulfide, Dibenzoyl disulphide, Bensulfenum, Benthiolan
| Molecular Formula | C14H10O2S2 |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0122 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 644-32-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SSC(=O)C2=CC=CC=C2 |
| InChIKey | YYWLHHUMIIIZDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯甲酰二硫 (CAS 644-32-6), with molecular formula C14H10O2S2 and molecular weight 274.01 g/mol. IUPAC: S-benzoylsulfanyl benzenecarbothioate.
Chemical Property Profile of 二苯甲酰二硫
Property Insights of 二苯甲酰二硫
The XLogP value of 3.8 indicates that 二苯甲酰二硫 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 二苯甲酰二硫. Following Lipinski's Rule of Five, 二苯甲酰二硫 has 0 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 二苯甲酰二硫?
The CAS number of 二苯甲酰二硫 is 644-32-6.
What is the molecular formula of 二苯甲酰二硫?
The molecular formula of 二苯甲酰二硫 is C14H10O2S2.
What is the molecular weight of 二苯甲酰二硫?
The molecular weight of 二苯甲酰二硫 is 274.01 g/mol.
Where can I buy 二苯甲酰二硫?
You can request a quote for 二苯甲酰二硫 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯甲酰二硫?
Yes, KEHONG BIO provides custom synthesis services for 二苯甲酰二硫 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.