1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea
TL;DR: 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea (CAS 586992-93-0) is a chemical compound with molecular formula C7H12N6OS and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide
Also Known As: 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea, N-((2-methyl-2H-tetrazol-5-yl)carbamothioyl)isobutyramide, 2-methyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide, 2-methyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]propanamide
| Molecular Formula | C7H12N6OS |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | -0.3209 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.07933 |
| Heavy Atoms | 15 |
| Complexity | 373.31226 |
Chemical Identifiers
| CAS Number | 586992-93-0 |
|---|---|
| SMILES | CC(C)C(=O)NC(=S)NC1=NN(N=N1)C |
Product Overview
1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea (CAS 586992-93-0), with molecular formula C7H12N6OS and molecular weight 228.08 g/mol. IUPAC: 2-methyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide.
Chemical Property Profile of 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea
Property Insights of 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea
The XLogP value of -0.3209 indicates that 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea. Following Lipinski's Rule of Five, 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-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-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea?
The CAS number of 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea is 586992-93-0.
What is the molecular formula of 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea?
The molecular formula of 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea is C7H12N6OS.
What is the molecular weight of 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea?
The molecular weight of 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea is 228.08 g/mol.
Where can I buy 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea?
You can request a quote for 1-Isobutyryl-3-(2-methyl-2H-tetrazol-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 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Isobutyryl-3-(2-methyl-2H-tetrazol-5-yl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.