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Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide
TL;DR: Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide (CAS 51672-22-1) is a chemical compound with molecular formula C7H15N3OS and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethylpropanoylamino)-3-methylthiourea
Also Known As: EINECS 257-342-0, 1-Pivaloyl-4-methylthiosemicarbazide, 4-methyl-1-pivaloylthiosemicarbazide, N-methyl-2-pivaloylhydrazinecarbothioamide, Pivalic acid 2-((methylamino)thioxomethyl hydrazide)
| Molecular Formula | C7H15N3OS |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 0.1576 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.09358 |
| Heavy Atoms | 12 |
| Complexity | 185.58073 |
Chemical Identifiers
| CAS Number | 51672-22-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)NNC(=S)NC |
Product Overview
Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide (CAS 51672-22-1), with molecular formula C7H15N3OS and molecular weight 189.09 g/mol. IUPAC: 1-(2,2-dimethylpropanoylamino)-3-methylthiourea.
Chemical Property Profile of Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide
Property Insights of Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide
The XLogP value of 0.1576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide. With a topological polar surface area (TPSA) of 53.16 Ų, Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide has 3 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 Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide?
The CAS number of Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide is 51672-22-1.
What is the molecular formula of Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide?
The molecular formula of Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide is C7H15N3OS.
What is the molecular weight of Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide?
The molecular weight of Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide is 189.09 g/mol.
Where can I buy Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide?
You can request a quote for Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.