5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol
TL;DR: 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol (CAS 37488-78-1) is a chemical compound with molecular formula C10H11N3O3S and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzylsulfonyl-1,2,4-triazol-1-yl)methanol
Also Known As: Tetrazolinthion, KST-1A4344, 5-(Benzylsulfonyl)-1H-1,2,4-triazole-1-methanol, 5-1h-1,2,4-triazole-1-methanol, 5- -1H-1,2,4-triazole-1-methanol
| Molecular Formula | C10H11N3O3S |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.05211 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 37488-78-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C2=NC=NN2CO |
| InChIKey | WSIWXYZCCNZNAA-UHFFFAOYSA-N |
Product Overview
5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol (CAS 37488-78-1), with molecular formula C10H11N3O3S and molecular weight 253.05 g/mol. IUPAC: (5-benzylsulfonyl-1,2,4-triazol-1-yl)methanol.
Chemical Property Profile of 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol
Property Insights of 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol. Following Lipinski's Rule of Five, 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol has 1 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 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol?
The CAS number of 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol is 37488-78-1.
What is the molecular formula of 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol?
The molecular formula of 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol is C10H11N3O3S.
What is the molecular weight of 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol?
The molecular weight of 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol is 253.05 g/mol.
Where can I buy 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol?
You can request a quote for 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol?
Yes, KEHONG BIO provides custom synthesis services for 5-((Phenylmethyl)sulfonyl)-1H-1,2,4-triazole-1-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.