2-Pyrrolidinecarbothioic acid, (+-)-
TL;DR: 2-Pyrrolidinecarbothioic acid, (+-)- (CAS 2756-91-4) is a chemical compound with molecular formula C5H9NOS and molecular weight 131.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrrolidine-2-carbothioic S-acid
Also Known As: Thioproline, 2-Pyrrolidinecarbothioic acid, 8-thiaproline, pyrrolidine-2-carbothioic S-acid, Pyrrolidine-2-carbothioic o-acid
| Molecular Formula | C5H9NOS |
|---|---|
| Molecular Weight | 131.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 30.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.04048 |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 2756-91-4 |
|---|---|
| SMILES | C1CC(NC1)C(=O)S |
| InChIKey | AFMIFWUUCHCHNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pyrrolidinecarbothioic acid, (+-)- (CAS 2756-91-4), with molecular formula C5H9NOS and molecular weight 131.04 g/mol. IUPAC: pyrrolidine-2-carbothioic S-acid.
Chemical Property Profile of 2-Pyrrolidinecarbothioic acid, (+-)-
Property Insights of 2-Pyrrolidinecarbothioic acid, (+-)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinecarbothioic acid, (+-)-. With a topological polar surface area (TPSA) of 30.1 Ų, 2-Pyrrolidinecarbothioic acid, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinecarbothioic acid, (+-)- has 2 hydrogen bond donor(s) and 3 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-Pyrrolidinecarbothioic acid, (+-)-?
The CAS number of 2-Pyrrolidinecarbothioic acid, (+-)- is 2756-91-4.
What is the molecular formula of 2-Pyrrolidinecarbothioic acid, (+-)-?
The molecular formula of 2-Pyrrolidinecarbothioic acid, (+-)- is C5H9NOS.
What is the molecular weight of 2-Pyrrolidinecarbothioic acid, (+-)-?
The molecular weight of 2-Pyrrolidinecarbothioic acid, (+-)- is 131.04 g/mol.
Where can I buy 2-Pyrrolidinecarbothioic acid, (+-)-?
You can request a quote for 2-Pyrrolidinecarbothioic acid, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinecarbothioic acid, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinecarbothioic acid, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.