1-(4-Methylanilino)-3-prop-2-enylthiourea
TL;DR: 1-(4-Methylanilino)-3-prop-2-enylthiourea (CAS 712299-48-4) is a chemical compound with molecular formula C11H15N3S and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylanilino)-3-prop-2-enylthiourea
Also Known As: 4-allyl-1-p-tolyl thiosemicarbazide, 1-(4-methylanilino)-3-prop-2-enylthiourea, 1-[(4-methylphenyl)amino]-3-prop-2-enyl-thiourea
| Molecular Formula | C11H15N3S |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 1.97202 |
| Topological Polar Surface Area | 36.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.09866 |
| Heavy Atoms | 15 |
| Complexity | 332.1912 |
Chemical Identifiers
| CAS Number | 712299-48-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NNC(=S)NCC=C |
Product Overview
1-(4-Methylanilino)-3-prop-2-enylthiourea (CAS 712299-48-4), with molecular formula C11H15N3S and molecular weight 221.10 g/mol. IUPAC: 1-(4-methylanilino)-3-prop-2-enylthiourea.
Chemical Property Profile of 1-(4-Methylanilino)-3-prop-2-enylthiourea
Property Insights of 1-(4-Methylanilino)-3-prop-2-enylthiourea
The XLogP value of 1.97202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylanilino)-3-prop-2-enylthiourea. With a topological polar surface area (TPSA) of 36.09 Ų, 1-(4-Methylanilino)-3-prop-2-enylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylanilino)-3-prop-2-enylthiourea 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-(4-Methylanilino)-3-prop-2-enylthiourea?
The CAS number of 1-(4-Methylanilino)-3-prop-2-enylthiourea is 712299-48-4.
What is the molecular formula of 1-(4-Methylanilino)-3-prop-2-enylthiourea?
The molecular formula of 1-(4-Methylanilino)-3-prop-2-enylthiourea is C11H15N3S.
What is the molecular weight of 1-(4-Methylanilino)-3-prop-2-enylthiourea?
The molecular weight of 1-(4-Methylanilino)-3-prop-2-enylthiourea is 221.10 g/mol.
Where can I buy 1-(4-Methylanilino)-3-prop-2-enylthiourea?
You can request a quote for 1-(4-Methylanilino)-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-Methylanilino)-3-prop-2-enylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylanilino)-3-prop-2-enylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.