1-Pyrrolidinecarbothioic acid, S-phenyl ester
TL;DR: 1-Pyrrolidinecarbothioic acid, S-phenyl ester (CAS 138906-08-8) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl pyrrolidine-1-carbothioate
Also Known As: S-Phenyl 1-pyrrolidinecarbothioate, S-phenyl pyrrolidine-1-carbothioate, 1-Pyrrolidinecarbothioic acid, S-phenyl ester, Phenylsulfanyl-pyrrolidin-1-yl-methanone, J2.618.732J
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 138906-08-8 |
|---|---|
| SMILES | C1CCN(C1)C(=O)SC2=CC=CC=C2 |
| InChIKey | GUWNNZHJCYDENI-UHFFFAOYSA-N |
Product Overview
1-Pyrrolidinecarbothioic acid, S-phenyl ester (CAS 138906-08-8), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: S-phenyl pyrrolidine-1-carbothioate.
Chemical Property Profile of 1-Pyrrolidinecarbothioic acid, S-phenyl ester
Property Insights of 1-Pyrrolidinecarbothioic acid, S-phenyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrrolidinecarbothioic acid, S-phenyl ester. With a topological polar surface area (TPSA) of 45.6 Ų, 1-Pyrrolidinecarbothioic acid, S-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidinecarbothioic acid, S-phenyl ester has 0 hydrogen bond donor(s) and 2 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 1-Pyrrolidinecarbothioic acid, S-phenyl ester?
The CAS number of 1-Pyrrolidinecarbothioic acid, S-phenyl ester is 138906-08-8.
What is the molecular formula of 1-Pyrrolidinecarbothioic acid, S-phenyl ester?
The molecular formula of 1-Pyrrolidinecarbothioic acid, S-phenyl ester is C11H13NOS.
What is the molecular weight of 1-Pyrrolidinecarbothioic acid, S-phenyl ester?
The molecular weight of 1-Pyrrolidinecarbothioic acid, S-phenyl ester is 207.07 g/mol.
Where can I buy 1-Pyrrolidinecarbothioic acid, S-phenyl ester?
You can request a quote for 1-Pyrrolidinecarbothioic acid, S-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrrolidinecarbothioic acid, S-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidinecarbothioic acid, S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.