3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
TL;DR: 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione (CAS 39565-69-0) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-N-phenyl-2,3-dihydrothiophen-3-amine
Also Known As: N-(1,1-dioxido-2,3-dihydrothien-3-yl)-N-phenylamine, 3-(phenylamino)-2,3-dihydrothiophene 1,1-dioxide, IFLab1_000337, 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-3-amine, 3-(phenylamino)-2,3-dihydro-1
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 39565-69-0 |
|---|---|
| SMILES | C1C(C=CS1(=O)=O)NC2=CC=CC=C2 |
| InChIKey | LBFHMWULQVSCQO-UHFFFAOYSA-N |
Product Overview
3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione (CAS 39565-69-0), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-3-amine.
Chemical Property Profile of 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
Property Insights of 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione. With a topological polar surface area (TPSA) of 54.6 Ų, 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione has 1 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 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The CAS number of 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione is 39565-69-0.
What is the molecular formula of 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The molecular formula of 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione is C10H11NO2S.
What is the molecular weight of 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The molecular weight of 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione is 209.05 g/mol.
Where can I buy 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
You can request a quote for 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.