N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide
TL;DR: N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide (CAS 331235-95-1) is a chemical compound with molecular formula C9H17N3S and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylprop-2-enyl)piperazine-1-carbothioamide
Also Known As: BAS 00340396, N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide, N-(2-methylprop-2-enyl)piperazine-1-carbothioamide, Piperazine-1-carbothioic acid (2-methyl-allyl)-amide, 1-Piperazinecarbothioamide, N-(2-methyl-2-propenyl)- (9CI)
| Molecular Formula | C9H17N3S |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 0.3422 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.11432 |
| Heavy Atoms | 13 |
| Complexity | 197.0365 |
Chemical Identifiers
| CAS Number | 331235-95-1 |
|---|---|
| SMILES | CC(=C)CNC(=S)N1CCNCC1 |
Product Overview
N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide (CAS 331235-95-1), with molecular formula C9H17N3S and molecular weight 199.11 g/mol. IUPAC: N-(2-methylprop-2-enyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide
Property Insights of N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide
The XLogP value of 0.3422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide. With a topological polar surface area (TPSA) of 27.3 Ų, N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide has 2 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 N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide?
The CAS number of N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide is 331235-95-1.
What is the molecular formula of N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide?
The molecular formula of N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide is C9H17N3S.
What is the molecular weight of N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide?
The molecular weight of N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide is 199.11 g/mol.
Where can I buy N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide?
You can request a quote for N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.