(4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione
TL;DR: (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione (CAS 80282-57-1) is a chemical compound with molecular formula C12H15NOS and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)-pyrrolidin-1-ylmethanethione
Also Known As: 1-(4-Methoxythiobenzoyl)pyrrolidine, (4-methoxyphenyl)(pyrrolidin-1-yl)methanethione, 1-(4-METHOXYBENZENECARBOTHIOYL)PYRROLIDINE, methyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether, (4-methoxyphenyl)pyrrolidinylmethane-1-thione
| Molecular Formula | C12H15NOS |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 2.4665 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.08743 |
| Heavy Atoms | 15 |
| Complexity | 341.14468 |
Chemical Identifiers
| CAS Number | 80282-57-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=S)N2CCCC2 |
Product Overview
(4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione (CAS 80282-57-1), with molecular formula C12H15NOS and molecular weight 221.09 g/mol. IUPAC: (4-methoxyphenyl)-pyrrolidin-1-ylmethanethione.
Chemical Property Profile of (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione
Property Insights of (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione
The XLogP value of 2.4665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione. With a topological polar surface area (TPSA) of 12.47 Ų, (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione 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 (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione?
The CAS number of (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione is 80282-57-1.
What is the molecular formula of (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione?
The molecular formula of (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione is C12H15NOS.
What is the molecular weight of (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione?
The molecular weight of (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione is 221.09 g/mol.
Where can I buy (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione?
You can request a quote for (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxyphenyl)(pyrrolidin-1-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.