4-Prop-2-enylpiperazine-1-carbothioamide
TL;DR: 4-Prop-2-enylpiperazine-1-carbothioamide (CAS 40546-27-8) is a chemical compound with molecular formula C8H15N3S and molecular weight 185.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-prop-2-enylpiperazine-1-carbothioamide
Also Known As: 4-prop-2-enylpiperazine-1-carbothioamide, 1-Piperazinecarbothioamide,4- -, 4-Allylpiperazine-1-carbothioamide, 4-allyl-1-piperazinyl-thiocarboxamide, 4-(prop-2-en-1-yl)piperazine-1-carbothioamide
| Molecular Formula | C8H15N3S |
|---|---|
| Molecular Weight | 185.10 g/mol |
| LogP | 0.0336 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.09866 |
| Heavy Atoms | 12 |
| Complexity | 173.14178 |
Chemical Identifiers
| CAS Number | 40546-27-8 |
|---|---|
| SMILES | C=CCN1CCN(CC1)C(=S)N |
Product Overview
4-Prop-2-enylpiperazine-1-carbothioamide (CAS 40546-27-8), with molecular formula C8H15N3S and molecular weight 185.10 g/mol. IUPAC: 4-prop-2-enylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-Prop-2-enylpiperazine-1-carbothioamide
Property Insights of 4-Prop-2-enylpiperazine-1-carbothioamide
The XLogP value of 0.0336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Prop-2-enylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 32.5 Ų, 4-Prop-2-enylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Prop-2-enylpiperazine-1-carbothioamide 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 4-Prop-2-enylpiperazine-1-carbothioamide?
The CAS number of 4-Prop-2-enylpiperazine-1-carbothioamide is 40546-27-8.
What is the molecular formula of 4-Prop-2-enylpiperazine-1-carbothioamide?
The molecular formula of 4-Prop-2-enylpiperazine-1-carbothioamide is C8H15N3S.
What is the molecular weight of 4-Prop-2-enylpiperazine-1-carbothioamide?
The molecular weight of 4-Prop-2-enylpiperazine-1-carbothioamide is 185.10 g/mol.
Where can I buy 4-Prop-2-enylpiperazine-1-carbothioamide?
You can request a quote for 4-Prop-2-enylpiperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Prop-2-enylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Prop-2-enylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.