3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea
TL;DR: 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea (CAS 306738-90-9) is a chemical compound with molecular formula C16H21N3S2 and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-methylphenyl)-3-prop-2-enylthiourea
Also Known As: 3-allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea, 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-methylphenyl)-3-prop-2-enylthiourea
| Molecular Formula | C16H21N3S2 |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 3.74332 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.11768 |
| Heavy Atoms | 21 |
| Complexity | 578.6398 |
Chemical Identifiers
| CAS Number | 306738-90-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N(C2=NCC(S2)(C)C)C(=S)NCC=C |
Product Overview
3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea (CAS 306738-90-9), with molecular formula C16H21N3S2 and molecular weight 319.12 g/mol. IUPAC: 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-methylphenyl)-3-prop-2-enylthiourea.
Chemical Property Profile of 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea
Property Insights of 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea
The XLogP value of 3.74332 indicates that 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea has 1 hydrogen bond donor(s) and 3 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 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea?
The CAS number of 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea is 306738-90-9.
What is the molecular formula of 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea?
The molecular formula of 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea is C16H21N3S2.
What is the molecular weight of 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea?
The molecular weight of 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea is 319.12 g/mol.
Where can I buy 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea?
You can request a quote for 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-1-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)-1-(o-tolyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.