苯次磺酸
TL;DR: 苯次磺酸 (CAS 27610-20-4) is a chemical compound with molecular formula C6H6OS and molecular weight 126.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯次磺酸
hydroxysulfanylbenzene
Also Known As: Benzenesulfenic acid, phenylsulfanol, hydroxysulfanylbenzene, benzene-SO-thioperoxol, PhSOH
| Molecular Formula | C6H6OS |
|---|---|
| Molecular Weight | 126.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.01394 |
| Heavy Atoms | 8 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 27610-20-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SO |
| InChIKey | NBADVBNRRHVIAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯次磺酸 (CAS 27610-20-4), with molecular formula C6H6OS and molecular weight 126.01 g/mol. IUPAC: hydroxysulfanylbenzene.
Chemical Property Profile of 苯次磺酸
Property Insights of 苯次磺酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯次磺酸. With a topological polar surface area (TPSA) of 45.5 Ų, 苯次磺酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯次磺酸 has 1 hydrogen bond donor(s) and 2 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 苯次磺酸?
The CAS number of 苯次磺酸 is 27610-20-4.
What is the molecular formula of 苯次磺酸?
The molecular formula of 苯次磺酸 is C6H6OS.
What is the molecular weight of 苯次磺酸?
The molecular weight of 苯次磺酸 is 126.01 g/mol.
Where can I buy 苯次磺酸?
You can request a quote for 苯次磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯次磺酸?
Yes, KEHONG BIO provides custom synthesis services for 苯次磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.