Benzenecarbothioic acid, 1,1'-anhydrosulfide
TL;DR: Benzenecarbothioic acid, 1,1'-anhydrosulfide (CAS 1850-15-3) is a chemical compound with molecular formula C14H10O2S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzoyl benzenecarbothioate
Also Known As: Benzoyl sulfide, Dibenzoyl sulfide, Benzoic thioanhydride, Dibenzoic thioanhydride, Dibenzoylsulfid
| Molecular Formula | C14H10O2S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.04015 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 1850-15-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC(=O)C2=CC=CC=C2 |
| InChIKey | KIHBJERLDDVXHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenecarbothioic acid, 1,1'-anhydrosulfide (CAS 1850-15-3), with molecular formula C14H10O2S and molecular weight 242.04 g/mol. IUPAC: S-benzoyl benzenecarbothioate.
Chemical Property Profile of Benzenecarbothioic acid, 1,1'-anhydrosulfide
Property Insights of Benzenecarbothioic acid, 1,1'-anhydrosulfide
The XLogP value of 3.8 indicates that Benzenecarbothioic acid, 1,1'-anhydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, Benzenecarbothioic acid, 1,1'-anhydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioic acid, 1,1'-anhydrosulfide 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 Benzenecarbothioic acid, 1,1'-anhydrosulfide?
The CAS number of Benzenecarbothioic acid, 1,1'-anhydrosulfide is 1850-15-3.
What is the molecular formula of Benzenecarbothioic acid, 1,1'-anhydrosulfide?
The molecular formula of Benzenecarbothioic acid, 1,1'-anhydrosulfide is C14H10O2S.
What is the molecular weight of Benzenecarbothioic acid, 1,1'-anhydrosulfide?
The molecular weight of Benzenecarbothioic acid, 1,1'-anhydrosulfide is 242.04 g/mol.
Where can I buy Benzenecarbothioic acid, 1,1'-anhydrosulfide?
You can request a quote for Benzenecarbothioic acid, 1,1'-anhydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioic acid, 1,1'-anhydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, 1,1'-anhydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.