1-Piperidinecarbothioic acid, S-methyl ester
TL;DR: 1-Piperidinecarbothioic acid, S-methyl ester (CAS 3012-97-3) is a chemical compound with molecular formula C7H13NOS and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl piperidine-1-carbothioate
Also Known As: S-Methyl 1-piperidinecarbothioate, S-methyl piperidine-1-carbothioate, 1-Piperidinecarbothioic acid, S-methyl ester, 1-Piperidinecarbothioicacid, S-methyl ester, piperidine-1-carbothioic acid S-methyl ester
| Molecular Formula | C7H13NOS |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.0718 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 3012-97-3 |
|---|---|
| SMILES | CSC(=O)N1CCCCC1 |
| InChIKey | UGXAFPLXOSEFRX-UHFFFAOYSA-N |
Product Overview
1-Piperidinecarbothioic acid, S-methyl ester (CAS 3012-97-3), with molecular formula C7H13NOS and molecular weight 159.07 g/mol. IUPAC: S-methyl piperidine-1-carbothioate.
Chemical Property Profile of 1-Piperidinecarbothioic acid, S-methyl ester
Property Insights of 1-Piperidinecarbothioic acid, S-methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidinecarbothioic acid, S-methyl ester. With a topological polar surface area (TPSA) of 45.6 Ų, 1-Piperidinecarbothioic acid, S-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinecarbothioic acid, S-methyl 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-Piperidinecarbothioic acid, S-methyl ester?
The CAS number of 1-Piperidinecarbothioic acid, S-methyl ester is 3012-97-3.
What is the molecular formula of 1-Piperidinecarbothioic acid, S-methyl ester?
The molecular formula of 1-Piperidinecarbothioic acid, S-methyl ester is C7H13NOS.
What is the molecular weight of 1-Piperidinecarbothioic acid, S-methyl ester?
The molecular weight of 1-Piperidinecarbothioic acid, S-methyl ester is 159.07 g/mol.
Where can I buy 1-Piperidinecarbothioic acid, S-methyl ester?
You can request a quote for 1-Piperidinecarbothioic acid, S-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinecarbothioic acid, S-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinecarbothioic acid, S-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.