1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea
TL;DR: 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea (CAS 17073-18-6) 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-(3-chloro-2-methylphenyl)-3-prop-2-enylthiourea
Also Known As: 1-(3-chloro-2-methylphenyl)-3-prop-2-enylthiourea, 1-allyl-3-(3-chloro-2-methylphenyl)-2-thiourea, 1-Allyl-3-(3-chloro-2-methylphenyl)thiourea, N-ALLYL-N'-(3-CHLORO-2-METHYLPHENYL)THIOUREA, N-(3-Chloro-2-methylphenyl)-N'-(prop-2-en-1-yl)thiourea
| Molecular Formula | C11H13ClN2S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 3.12082 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.0488 |
| Heavy Atoms | 15 |
| Complexity | 376.8507 |
Chemical Identifiers
| CAS Number | 17073-18-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=S)NCC=C |
Product Overview
1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea (CAS 17073-18-6), with molecular formula C11H13ClN2S and molecular weight 240.05 g/mol. IUPAC: 1-(3-chloro-2-methylphenyl)-3-prop-2-enylthiourea.
Chemical Property Profile of 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea
Property Insights of 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea
The XLogP value of 3.12082 indicates that 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea 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-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea?
The CAS number of 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea is 17073-18-6.
What is the molecular formula of 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea?
The molecular formula of 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea is C11H13ClN2S.
What is the molecular weight of 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea?
The molecular weight of 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea is 240.05 g/mol.
Where can I buy 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea?
You can request a quote for 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-3-(3-chloro-2-methylphenyl)-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.