1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-
TL;DR: 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo- (CAS 127040-59-9) is a chemical compound with molecular formula C13H16N2S2 and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
Also Known As: 1-Thiocarboxymethylpyrrolidine-2-thione, 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-, N-(Phenylmethyl)-2-thioxo-1-pyrrolidineethanethioamide, N-Benzyl(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide, N-benzyl-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
| Molecular Formula | C13H16N2S2 |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 2.5268 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.0755 |
| Heavy Atoms | 17 |
| Complexity | 403.14032 |
Chemical Identifiers
| CAS Number | 127040-59-9 |
|---|---|
| SMILES | C1CC(=S)N(C1)CC(=S)NCC2=CC=CC=C2 |
Product Overview
1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo- (CAS 127040-59-9), with molecular formula C13H16N2S2 and molecular weight 264.08 g/mol. IUPAC: N-benzyl-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide.
Chemical Property Profile of 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-
Property Insights of 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-
The XLogP value of 2.5268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-. With a topological polar surface area (TPSA) of 15.27 Ų, 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo- has 1 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-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-?
The CAS number of 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo- is 127040-59-9.
What is the molecular formula of 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-?
The molecular formula of 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo- is C13H16N2S2.
What is the molecular weight of 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-?
The molecular weight of 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo- is 264.08 g/mol.
Where can I buy 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-?
You can request a quote for 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.