Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)
TL;DR: Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1) (CAS 95141-03-0) is a chemical compound with molecular formula C11H16N2OS and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)-1-phenylpropan-1-ol;thiocyanic acid
Also Known As: Ephedrine, thiocyanate, Ephedrin-hydrorhodanid, Ephedrin-hydrorhodanid [German], alpha-(1-Methylaminoethyl)benzyl alcohol thiocyanate, 2-(methylamino)-1-phenylpropan-1-ol,thiocyanate
| Molecular Formula | C11H16N2OS |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.73 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.09833 |
| Heavy Atoms | 15 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 95141-03-0 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)NC.C(#N)S |
| InChIKey | RHPLXTLBWAZINH-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1) (CAS 95141-03-0), with molecular formula C11H16N2OS and molecular weight 224.10 g/mol. IUPAC: 2-(methylamino)-1-phenylpropan-1-ol;thiocyanic acid.
Chemical Property Profile of Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)
Property Insights of Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)
The XLogP value of 1.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1). With a topological polar surface area (TPSA) of 57.1 Ų, Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1) has 3 hydrogen bond donor(s) and 4 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 Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)?
The CAS number of Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1) is 95141-03-0.
What is the molecular formula of Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)?
The molecular formula of Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1) is C11H16N2OS.
What is the molecular weight of Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)?
The molecular weight of Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1) is 224.10 g/mol.
Where can I buy Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)?
You can request a quote for Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.