![1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea structure](/static/products/5280/5280-98-8.webp)
1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea
TL;DR: 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea (CAS 5280-98-8) is a chemical compound with molecular formula C14H19N3S and molecular weight 261.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea
Also Known As: BAS 00511014, 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea, 5-hexen-2-one N-(3-methylphenyl)thiosemicarbazone, (2E)-2-(Hex-5-en-2-ylidene)-N-(3-methylphenyl)hydrazine-1-carbothioamide, [((1E)-2-methyl-1-azahexa-1,5-dienyl)amino][(3-methylphenyl)amino]methane-1-th ione
| Molecular Formula | C14H19N3S |
|---|---|
| Molecular Weight | 261.13 g/mol |
| LogP | 3.62352 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.12997 |
| Heavy Atoms | 18 |
| Complexity | 452.10727 |
Chemical Identifiers
| CAS Number | 5280-98-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N/N=C(\C)/CCC=C |
Product Overview
1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea (CAS 5280-98-8), with molecular formula C14H19N3S and molecular weight 261.13 g/mol. IUPAC: 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea.
Chemical Property Profile of 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea
Property Insights of 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea
The XLogP value of 3.62352 indicates that 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.42 Ų, 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea has 2 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-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea?
The CAS number of 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea is 5280-98-8.
What is the molecular formula of 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea?
The molecular formula of 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea is C14H19N3S.
What is the molecular weight of 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea?
The molecular weight of 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea is 261.13 g/mol.
Where can I buy 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea?
You can request a quote for 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-hex-5-en-2-ylideneamino]-3-(3-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.