![[4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea structure](/static/products/886/88614-50-0.png)
[4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea
TL;DR: [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea (CAS 88614-50-0) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea
Also Known As: [4-(1,3-benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea|[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]t
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 1.6376 |
| Topological Polar Surface Area | 68.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 526.05383 |
Chemical Identifiers
| CAS Number | 88614-50-0 |
|---|---|
| SMILES | CC(=NNC(=S)N)C=CC1=CC2=C(C=C1)OCO2 |
Product Overview
[4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea (CAS 88614-50-0), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: [4-(1,3-benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea.
Chemical Property Profile of [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea
Property Insights of [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea
The XLogP value of 1.6376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea. The TPSA of 68.87 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea. Following Lipinski's Rule of Five, [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea has 2 hydrogen bond donor(s) and 4 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 [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea?
The CAS number of [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea is 88614-50-0.
What is the molecular formula of [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea?
The molecular formula of [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea is C12H13N3O2S.
What is the molecular weight of [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea?
The molecular weight of [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea is 263.07 g/mol.
Where can I buy [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea?
You can request a quote for [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-Benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.