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1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole
TL;DR: 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole (CAS 304658-63-7) is a chemical compound with molecular formula C10H13N3OS and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(propan-2-ylsulfinylmethyl)benzotriazole
Also Known As: starbld0041953, 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole, 1-(propan-2-ylsulfinylmethyl)benzotriazole, 1-(isopropylsulfinylmethyl)benzotriazole, 1-((Isopropylsulfinyl)methyl)-1H-benzo[d][1,2,3]triazole
| Molecular Formula | C10H13N3OS |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.5459 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.07793 |
| Heavy Atoms | 15 |
| Complexity | 492.12808 |
Chemical Identifiers
| CAS Number | 304658-63-7 |
|---|---|
| SMILES | CC(C)S(=O)CN1C2=CC=CC=C2N=N1 |
Product Overview
1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole (CAS 304658-63-7), with molecular formula C10H13N3OS and molecular weight 223.08 g/mol. IUPAC: 1-(propan-2-ylsulfinylmethyl)benzotriazole.
Chemical Property Profile of 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole
Property Insights of 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole
The XLogP value of 1.5459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 47.78 Ų, 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 3 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-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole?
The CAS number of 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole is 304658-63-7.
What is the molecular formula of 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole?
The molecular formula of 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole is C10H13N3OS.
What is the molecular weight of 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole?
The molecular weight of 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole is 223.08 g/mol.
Where can I buy 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole?
You can request a quote for 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Propane-2-sulfinyl)methyl]-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.