![N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine structure](/static/products/892/892605-40-2.png)
N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine
TL;DR: N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine (CAS 892605-40-2) is a chemical compound with molecular formula C9H12N6S and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-[(4-methylsulfanylphenyl)methyl]tetrazole-1,5-diamine
Also Known As: N~1~-[4-(methylthio)benzyl]-1H-tetrazole-1,5-diamine, N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine, 1-N-[(4-methylsulfanylphenyl)methyl]tetrazole-1,5-diamine, 1-N-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,2,3,4-tetrazole-1,5-diamine, N1-{[4-(METHYLSULFANYL)PHENYL]METHYL}-1,2,3,4-TETRAZOLE-1,5-DIAMINE
| Molecular Formula | C9H12N6S |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 0.7209 |
| Topological Polar Surface Area | 81.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.08441 |
| Heavy Atoms | 16 |
| Complexity | 451.2777 |
Chemical Identifiers
| CAS Number | 892605-40-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CNN2C(=NN=N2)N |
Product Overview
N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine (CAS 892605-40-2), with molecular formula C9H12N6S and molecular weight 236.08 g/mol. IUPAC: 1-N-[(4-methylsulfanylphenyl)methyl]tetrazole-1,5-diamine.
Chemical Property Profile of N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine
Property Insights of N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine
The XLogP value of 0.7209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine. The TPSA of 81.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine. Following Lipinski's Rule of Five, N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine has 2 hydrogen bond donor(s) and 6 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~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine?
The CAS number of N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine is 892605-40-2.
What is the molecular formula of N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine?
The molecular formula of N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine is C9H12N6S.
What is the molecular weight of N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine?
The molecular weight of N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine is 236.08 g/mol.
Where can I buy N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine?
You can request a quote for N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~-[4-(methylsulfanyl)benzyl]-1H-tetrazole-1,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.