4-Anilinotetrahydro-3-thiophenol 1,1-dioxide
TL;DR: 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide (CAS 35895-26-2) is a chemical compound with molecular formula C10H13NO3S and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-1,1-dioxothiolan-3-ol
Also Known As: 3-anilino-4-hydroxysulfolane, 3-hydroxy-4-(phenylamino)-1, 4-anilino-1,1-dioxothiolan-3-ol, BAS 00159039, VU0406624-2
| Molecular Formula | C10H13NO3S |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 0.2564 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.06161 |
| Heavy Atoms | 15 |
| Complexity | 429.24054 |
Chemical Identifiers
| CAS Number | 35895-26-2 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)O)NC2=CC=CC=C2 |
Product Overview
4-Anilinotetrahydro-3-thiophenol 1,1-dioxide (CAS 35895-26-2), with molecular formula C10H13NO3S and molecular weight 227.06 g/mol. IUPAC: 4-anilino-1,1-dioxothiolan-3-ol.
Chemical Property Profile of 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide
Property Insights of 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide
The XLogP value of 0.2564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide. Following Lipinski's Rule of Five, 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide has 2 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 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide?
The CAS number of 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide is 35895-26-2.
What is the molecular formula of 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide?
The molecular formula of 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide is C10H13NO3S.
What is the molecular weight of 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide?
The molecular weight of 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide is 227.06 g/mol.
Where can I buy 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide?
You can request a quote for 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilinotetrahydro-3-thiophenol 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.