Pyrrolidine-1-carbothioamide
TL;DR: Pyrrolidine-1-carbothioamide (CAS 40398-36-5) is a chemical compound with molecular formula C5H10N2S and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrrolidine-1-carbothioamide
Also Known As: pyrrolidine-1-carbothioamide, 1-Pyrrolidinecarbothioamide, 1-Pyrrolidinethiocarboximide, 1-(2-carboxyphenyl)pyrrole, aminopyrrolidinylmethane-1-thione
| Molecular Formula | C5H10N2S |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.3258 |
| Topological Polar Surface Area | 29.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.05647 |
| Heavy Atoms | 8 |
| Complexity | 96.60179 |
Chemical Identifiers
| CAS Number | 40398-36-5 |
|---|---|
| SMILES | C1CCN(C1)C(=S)N |
Product Overview
Pyrrolidine-1-carbothioamide (CAS 40398-36-5), with molecular formula C5H10N2S and molecular weight 130.06 g/mol. IUPAC: pyrrolidine-1-carbothioamide.
Chemical Property Profile of Pyrrolidine-1-carbothioamide
Property Insights of Pyrrolidine-1-carbothioamide
The XLogP value of 0.3258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine-1-carbothioamide. With a topological polar surface area (TPSA) of 29.26 Ų, Pyrrolidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine-1-carbothioamide 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 Pyrrolidine-1-carbothioamide?
The CAS number of Pyrrolidine-1-carbothioamide is 40398-36-5.
What is the molecular formula of Pyrrolidine-1-carbothioamide?
The molecular formula of Pyrrolidine-1-carbothioamide is C5H10N2S.
What is the molecular weight of Pyrrolidine-1-carbothioamide?
The molecular weight of Pyrrolidine-1-carbothioamide is 130.06 g/mol.
Where can I buy Pyrrolidine-1-carbothioamide?
You can request a quote for Pyrrolidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.