2-(1-Piperidinyl)ethyl carbamimidothioate
TL;DR: 2-(1-Piperidinyl)ethyl carbamimidothioate (CAS 68643-24-3) is a chemical compound with molecular formula C8H17N3S and molecular weight 187.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylethyl carbamimidothioate
Also Known As: NCIStruc1_001961, NCIStruc2_000733, 2-(2-Piperidinoethyl)isothiourea, NCI60_000507, 2-piperidin-1-ylethyl carbamimidothioate
| Molecular Formula | C8H17N3S |
|---|---|
| Molecular Weight | 187.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.11432 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 68643-24-3 |
|---|---|
| SMILES | C1CCN(CC1)CCSC(=N)N |
| InChIKey | NWQLWQQMPXWCCB-UHFFFAOYSA-N |
Product Overview
2-(1-Piperidinyl)ethyl carbamimidothioate (CAS 68643-24-3), with molecular formula C8H17N3S and molecular weight 187.11 g/mol. IUPAC: 2-piperidin-1-ylethyl carbamimidothioate.
Chemical Property Profile of 2-(1-Piperidinyl)ethyl carbamimidothioate
Property Insights of 2-(1-Piperidinyl)ethyl carbamimidothioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Piperidinyl)ethyl carbamimidothioate. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Piperidinyl)ethyl carbamimidothioate. Following Lipinski's Rule of Five, 2-(1-Piperidinyl)ethyl carbamimidothioate 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-(1-Piperidinyl)ethyl carbamimidothioate?
The CAS number of 2-(1-Piperidinyl)ethyl carbamimidothioate is 68643-24-3.
What is the molecular formula of 2-(1-Piperidinyl)ethyl carbamimidothioate?
The molecular formula of 2-(1-Piperidinyl)ethyl carbamimidothioate is C8H17N3S.
What is the molecular weight of 2-(1-Piperidinyl)ethyl carbamimidothioate?
The molecular weight of 2-(1-Piperidinyl)ethyl carbamimidothioate is 187.11 g/mol.
Where can I buy 2-(1-Piperidinyl)ethyl carbamimidothioate?
You can request a quote for 2-(1-Piperidinyl)ethyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Piperidinyl)ethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Piperidinyl)ethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.