1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)-
TL;DR: 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)- (CAS 101001-64-3) is a chemical compound with molecular formula C8H12N2S and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-ylpyrrole-2-carbothioamide
Also Known As: 1-Isopropylpyrrole-2-carbothioamide, 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)-, 1-(1-Methylethyl)-1H-pyrrole-2-carbothioamide, 1-propan-2-ylpyrrole-2-carbothioamide, 1H-Pyrrole-2-carbonitrile, 1-propyl-
| Molecular Formula | C8H12N2S |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 1.7032 |
| Topological Polar Surface Area | 30.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07211 |
| Heavy Atoms | 11 |
| Complexity | 262.8107 |
Chemical Identifiers
| CAS Number | 101001-64-3 |
|---|---|
| SMILES | CC(C)N1C=CC=C1C(=S)N |
Product Overview
1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)- (CAS 101001-64-3), with molecular formula C8H12N2S and molecular weight 168.07 g/mol. IUPAC: 1-propan-2-ylpyrrole-2-carbothioamide.
Chemical Property Profile of 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)-
Property Insights of 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)-
The XLogP value of 1.7032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)-. With a topological polar surface area (TPSA) of 30.95 Ų, 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)- 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-(1-methylethyl)-?
The CAS number of 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)- is 101001-64-3.
What is the molecular formula of 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)-?
The molecular formula of 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)- is C8H12N2S.
What is the molecular weight of 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)-?
The molecular weight of 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)- is 168.07 g/mol.
Where can I buy 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)-?
You can request a quote for 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)- 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-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carbothioamide, 1-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.