3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
TL;DR: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine (CAS 107974-07-2) is a chemical compound with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
Also Known As: SDCCGMLS-0064462.P001, VU0618228-1, 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine, 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine, 3-[(1,3-benzodioxol-5-ylmethyl)thio]-1H-1,2,4-triazol-5-amine
| Molecular Formula | C10H10N4O2S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 1.4079 |
| Topological Polar Surface Area | 86.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05244 |
| Heavy Atoms | 17 |
| Complexity | 542.85223 |
Chemical Identifiers
| CAS Number | 107974-07-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CSC3=NNC(=N3)N |
Product Overview
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine (CAS 107974-07-2), with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
Property Insights of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 1.4079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine. The TPSA of 86.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine 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 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The CAS number of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine is 107974-07-2.
What is the molecular formula of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine is C10H10N4O2S.
What is the molecular weight of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine is 250.05 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.