1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-
TL;DR: 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)- (CAS 101001-70-1) is a chemical compound with molecular formula C8H10N2S and molecular weight 166.05647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-prop-2-enylpyrrole-2-carbothioamide
Also Known As: 1-Allylpyrrole-2-carbothioamide, 1-(2-Propenyl)-1H-pyrrole-2-carbothioamide, 1-prop-2-enylpyrrole-2-carbothioamide, 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-, 1H-Pyrrole-2-carbothioamide, 1-(2-propen-1-yl)-
Technical Specifications
| Molecular Formula | C8H10N2S |
| Molecular Weight | 166.05647 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 63.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.05647 Da |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
| SMILES | C=CCN1C=CC=C1C(=S)N |
| InChIKey | PGIUFQXXLLAUIR-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-
Property Insights of 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-?
The CAS number of 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)- is 101001-70-1.
What is the molecular formula of 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-?
The molecular formula of 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)- is C8H10N2S.
What is the molecular weight of 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-?
The molecular weight of 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)- is 166.05647 g/mol.
Where can I buy 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-?
You can request a quote for 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.