![(3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea structure](/static/products/662/6622-85-1.png)
(3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea
TL;DR: (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea (CAS 6622-85-1) is a chemical compound with molecular formula C13H15N3OS2 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea
Also Known As: (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea, N-[(2E,3E)-4-(4-Methoxyphenyl)but-3-en-2-ylidene]-2-imidodithiodicarbonic diamide
| Molecular Formula | C13H15N3OS2 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 2.2874 |
| Topological Polar Surface Area | 59.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.06564 |
| Heavy Atoms | 19 |
| Complexity | 521.1948 |
Chemical Identifiers
| CAS Number | 6622-85-1 |
|---|---|
| SMILES | C/C(=N\C(=S)NC(=S)N)/C=C/C1=CC=C(C=C1)OC |
Product Overview
(3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea (CAS 6622-85-1), with molecular formula C13H15N3OS2 and molecular weight 293.07 g/mol. IUPAC: (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea.
Chemical Property Profile of (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea
Property Insights of (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea
The XLogP value of 2.2874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea. With a topological polar surface area (TPSA) of 59.64 Ų, (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea has 2 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 (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea?
The CAS number of (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea is 6622-85-1.
What is the molecular formula of (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea?
The molecular formula of (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea is C13H15N3OS2.
What is the molecular weight of (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea?
The molecular weight of (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea is 293.07 g/mol.
Where can I buy (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea?
You can request a quote for (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1-carbamothioyl-3-[(E)-4-(4-methoxyphenyl)but-3-en-2-ylidene]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.