2H-chromene-3-carbothioamide
TL;DR: 2H-chromene-3-carbothioamide (CAS 423768-57-4) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-chromene-3-carbothioamide
Also Known As: 2H-chromene-3-carbothioamide, 2H-1-Benzopyran-3-carbothioamide, 3-Carbamothioyl-2H-1-benzopyran, 2H-Chromene-3-carbothioic acid amide, 2H-1-Benzopyran-3-thiocarboxamide
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 1.7485 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 384.26605 |
Chemical Identifiers
| CAS Number | 423768-57-4 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)C(=S)N |
Product Overview
2H-chromene-3-carbothioamide (CAS 423768-57-4), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 2H-chromene-3-carbothioamide.
Chemical Property Profile of 2H-chromene-3-carbothioamide
Property Insights of 2H-chromene-3-carbothioamide
The XLogP value of 1.7485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-chromene-3-carbothioamide. With a topological polar surface area (TPSA) of 35.25 Ų, 2H-chromene-3-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-chromene-3-carbothioamide 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 2H-chromene-3-carbothioamide?
The CAS number of 2H-chromene-3-carbothioamide is 423768-57-4.
What is the molecular formula of 2H-chromene-3-carbothioamide?
The molecular formula of 2H-chromene-3-carbothioamide is C10H9NOS.
What is the molecular weight of 2H-chromene-3-carbothioamide?
The molecular weight of 2H-chromene-3-carbothioamide is 191.04 g/mol.
Where can I buy 2H-chromene-3-carbothioamide?
You can request a quote for 2H-chromene-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-chromene-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2H-chromene-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.