2-Thiophenecarbothioamide
TL;DR: 2-Thiophenecarbothioamide (CAS 2039-47-6) is a chemical compound with molecular formula C5H5NS2 and molecular weight 142.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophene-2-carbothioamide
Also Known As: thiophene-2-carbothioamide, 2-Thiophenecarbothioamide, thiophene-2-thiocarboxamide, Thiophen-2-carbothioamide, thiophene-2-thioamide
| Molecular Formula | C5H5NS2 |
|---|---|
| Molecular Weight | 142.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.98634 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 2039-47-6 |
|---|---|
| SMILES | C1=CSC(=C1)C(=S)N |
| InChIKey | HDXYHAPUCGQOBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarbothioamide (CAS 2039-47-6), with molecular formula C5H5NS2 and molecular weight 142.99 g/mol. IUPAC: thiophene-2-carbothioamide.
Chemical Property Profile of 2-Thiophenecarbothioamide
Property Insights of 2-Thiophenecarbothioamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarbothioamide. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarbothioamide. Following Lipinski's Rule of Five, 2-Thiophenecarbothioamide 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 2-Thiophenecarbothioamide?
The CAS number of 2-Thiophenecarbothioamide is 2039-47-6.
What is the molecular formula of 2-Thiophenecarbothioamide?
The molecular formula of 2-Thiophenecarbothioamide is C5H5NS2.
What is the molecular weight of 2-Thiophenecarbothioamide?
The molecular weight of 2-Thiophenecarbothioamide is 142.99 g/mol.
Where can I buy 2-Thiophenecarbothioamide?
You can request a quote for 2-Thiophenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.