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1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea
TL;DR: 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea (CAS 57294-97-0) is a chemical compound with molecular formula C11H13ClN2S and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-prop-2-enylthiourea
Also Known As: 1-[(4-chlorophenyl)methyl]-3-prop-2-enylthiourea, AB00033310-01, 1-[(4-chlorophenyl)methyl]-3-(prop-2-en-1-yl)thiourea, N-[(4-Chlorophenyl)methyl]-N'-(prop-2-en-1-yl)thiourea
| Molecular Formula | C11H13ClN2S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 2.4901 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.0488 |
| Heavy Atoms | 15 |
| Complexity | 334.94608 |
Chemical Identifiers
| CAS Number | 57294-97-0 |
|---|---|
| SMILES | C=CCNC(=S)NCC1=CC=C(C=C1)Cl |
Product Overview
1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea (CAS 57294-97-0), with molecular formula C11H13ClN2S and molecular weight 240.05 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-prop-2-enylthiourea.
Chemical Property Profile of 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea
Property Insights of 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea
The XLogP value of 2.4901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea. With a topological polar surface area (TPSA) of 24.06 Ų, 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea has 2 hydrogen bond donor(s) and 1 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-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea?
The CAS number of 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea is 57294-97-0.
What is the molecular formula of 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea?
The molecular formula of 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea is C11H13ClN2S.
What is the molecular weight of 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea?
The molecular weight of 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea is 240.05 g/mol.
Where can I buy 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea?
You can request a quote for 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.