![1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea structure](/static/products/4187/418786-80-8.webp)
1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea
TL;DR: 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea (CAS 418786-80-8) is a chemical compound with molecular formula C13H17N3O3S2 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea
Also Known As: BIM-0026242.P001, 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea, 4-methoxybenzaldehyde N-(1,1-dioxidotetrahydro-3-thienyl)thiosemicarbazone, (2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-methoxybenzylidene)hydrazinecarbothioamide
| Molecular Formula | C13H17N3O3S2 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 0.6803 |
| Topological Polar Surface Area | 79.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.07114 |
| Heavy Atoms | 21 |
| Complexity | 626.5665 |
Chemical Identifiers
| CAS Number | 418786-80-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=N/NC(=S)NC2CCS(=O)(=O)C2 |
Product Overview
1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea (CAS 418786-80-8), with molecular formula C13H17N3O3S2 and molecular weight 327.07 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea.
Chemical Property Profile of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea
Property Insights of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea
The XLogP value of 0.6803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea. The TPSA of 79.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea. Following Lipinski's Rule of Five, 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea has 2 hydrogen bond donor(s) and 5 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-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea?
The CAS number of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea is 418786-80-8.
What is the molecular formula of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea?
The molecular formula of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea is C13H17N3O3S2.
What is the molecular weight of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea?
The molecular weight of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea is 327.07 g/mol.
Where can I buy 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea?
You can request a quote for 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-dioxothiolan-3-yl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.