N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea
TL;DR: N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea (CAS 824944-04-9) is a chemical compound with molecular formula C11H10N6O3S and molecular weight 306.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-methyltetrazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
Also Known As: AP-970/42769236, N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea, N-[(2-methyltetrazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide, N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide, N-((2-methyl-2H-tetrazol-5-yl)carbamothioyl)benzo[d][1,3]dioxole-5-carboxamide
| Molecular Formula | C11H10N6O3S |
|---|---|
| Molecular Weight | 306.05 g/mol |
| LogP | 0.0656 |
| Topological Polar Surface Area | 103.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.0535 |
| Heavy Atoms | 21 |
| Complexity | 715.7342 |
Chemical Identifiers
| CAS Number | 824944-04-9 |
|---|---|
| SMILES | CN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea (CAS 824944-04-9), with molecular formula C11H10N6O3S and molecular weight 306.05 g/mol. IUPAC: N-[(2-methyltetrazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea
Property Insights of N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea
The XLogP value of 0.0656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea. The TPSA of 103.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea has 2 hydrogen bond donor(s) and 7 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 N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea?
The CAS number of N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea is 824944-04-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea?
The molecular formula of N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea is C11H10N6O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea?
The molecular weight of N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea is 306.05 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea?
You can request a quote for N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.