6-nitro-2H-chromene-2-thione
TL;DR: 6-nitro-2H-chromene-2-thione (CAS 98591-86-7) is a chemical compound with molecular formula C9H5NO3S and molecular weight 207.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitrochromene-2-thione
Also Known As: 6-nitrochromene-2-thione, 6-nitro-2H-chromene-2-thione
| Molecular Formula | C9H5NO3S |
|---|---|
| Molecular Weight | 207.00 g/mol |
| LogP | 3.07049 |
| Topological Polar Surface Area | 56.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.99901 |
| Heavy Atoms | 14 |
| Complexity | 561.2308 |
Chemical Identifiers
| CAS Number | 98591-86-7 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=S)O2)C=C1[N+](=O)[O-] |
Product Overview
6-nitro-2H-chromene-2-thione (CAS 98591-86-7), with molecular formula C9H5NO3S and molecular weight 207.00 g/mol. IUPAC: 6-nitrochromene-2-thione.
Chemical Property Profile of 6-nitro-2H-chromene-2-thione
Property Insights of 6-nitro-2H-chromene-2-thione
The XLogP value of 3.07049 indicates that 6-nitro-2H-chromene-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.28 Ų, 6-nitro-2H-chromene-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-nitro-2H-chromene-2-thione has 0 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 6-nitro-2H-chromene-2-thione?
The CAS number of 6-nitro-2H-chromene-2-thione is 98591-86-7.
What is the molecular formula of 6-nitro-2H-chromene-2-thione?
The molecular formula of 6-nitro-2H-chromene-2-thione is C9H5NO3S.
What is the molecular weight of 6-nitro-2H-chromene-2-thione?
The molecular weight of 6-nitro-2H-chromene-2-thione is 207.00 g/mol.
Where can I buy 6-nitro-2H-chromene-2-thione?
You can request a quote for 6-nitro-2H-chromene-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-nitro-2H-chromene-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-nitro-2H-chromene-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.