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 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)-
| Molecular Formula | C8H10N2S |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.3083 |
| Topological Polar Surface Area | 30.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.05647 |
| Heavy Atoms | 11 |
| Complexity | 275.37436 |
Chemical Identifiers
| CAS Number | 101001-70-1 |
|---|---|
| SMILES | C=CCN1C=CC=C1C(=S)N |
Product Overview
1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)- (CAS 101001-70-1), with molecular formula C8H10N2S and molecular weight 166.06 g/mol. IUPAC: 1-prop-2-enylpyrrole-2-carbothioamide.
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 1.3083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-. With a topological polar surface area (TPSA) of 30.95 Ų, 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 166.06 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-?
Yes, KEHONG BIO 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.