1-Dibenzothiophenamine
TL;DR: 1-Dibenzothiophenamine (CAS 29451-76-1) is a chemical compound with molecular formula C12H9NS and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzothiophen-1-amine
Also Known As: 1-Dibenzothiophenamine, Thiosuccinic acid, dibenzothiophen-1-amine, dibenzo[b,d]thiophen-1-amine, aminodibenzothiophene
| Molecular Formula | C12H9NS |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.04558 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 29451-76-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C=CC=C3S2)N |
| InChIKey | LUOGSASRTYIOCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Dibenzothiophenamine (CAS 29451-76-1), with molecular formula C12H9NS and molecular weight 199.05 g/mol. IUPAC: dibenzothiophen-1-amine.
Chemical Property Profile of 1-Dibenzothiophenamine
Property Insights of 1-Dibenzothiophenamine
The XLogP value of 3.6 indicates that 1-Dibenzothiophenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.3 Ų, 1-Dibenzothiophenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Dibenzothiophenamine 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 1-Dibenzothiophenamine?
The CAS number of 1-Dibenzothiophenamine is 29451-76-1.
What is the molecular formula of 1-Dibenzothiophenamine?
The molecular formula of 1-Dibenzothiophenamine is C12H9NS.
What is the molecular weight of 1-Dibenzothiophenamine?
The molecular weight of 1-Dibenzothiophenamine is 199.05 g/mol.
Where can I buy 1-Dibenzothiophenamine?
You can request a quote for 1-Dibenzothiophenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dibenzothiophenamine?
Yes, KEHONG BIO provides custom synthesis services for 1-Dibenzothiophenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.