1-(2-Aminoethyl)-3-phenylthiourea
TL;DR: 1-(2-Aminoethyl)-3-phenylthiourea (CAS 31090-77-4) is a chemical compound with molecular formula C9H13N3S and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-aminoethyl)-3-phenylthiourea
Also Known As: 1-(2-Aminoethyl)-3-phenylthiourea, 1-Aept, N-(2-Aminoethyl)-N'-phenylthiourea, Thiourea, N-(2-aminoethyl)-N'-phenyl-, 3-(2-aminoethyl)-1-phenylthiourea
| Molecular Formula | C9H13N3S |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 0.9317 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.08302 |
| Heavy Atoms | 13 |
| Complexity | 260.82214 |
Chemical Identifiers
| CAS Number | 31090-77-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCCN |
Product Overview
1-(2-Aminoethyl)-3-phenylthiourea (CAS 31090-77-4), with molecular formula C9H13N3S and molecular weight 195.08 g/mol. IUPAC: 1-(2-aminoethyl)-3-phenylthiourea.
Chemical Property Profile of 1-(2-Aminoethyl)-3-phenylthiourea
Property Insights of 1-(2-Aminoethyl)-3-phenylthiourea
The XLogP value of 0.9317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Aminoethyl)-3-phenylthiourea. With a topological polar surface area (TPSA) of 50.08 Ų, 1-(2-Aminoethyl)-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Aminoethyl)-3-phenylthiourea 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 1-(2-Aminoethyl)-3-phenylthiourea?
The CAS number of 1-(2-Aminoethyl)-3-phenylthiourea is 31090-77-4.
What is the molecular formula of 1-(2-Aminoethyl)-3-phenylthiourea?
The molecular formula of 1-(2-Aminoethyl)-3-phenylthiourea is C9H13N3S.
What is the molecular weight of 1-(2-Aminoethyl)-3-phenylthiourea?
The molecular weight of 1-(2-Aminoethyl)-3-phenylthiourea is 195.08 g/mol.
Where can I buy 1-(2-Aminoethyl)-3-phenylthiourea?
You can request a quote for 1-(2-Aminoethyl)-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Aminoethyl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Aminoethyl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.