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2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
TL;DR: 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole (CAS 253168-40-0) is a chemical compound with molecular formula C15H14N2S and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: 2-{[(3-METHYLPHENYL)METHYL]SULFANYL}-1H-1,3-BENZODIAZOLE, BAS 00469567, 2-(3-Methyl-benzylsulfanyl)-1H-benzoimidazole, 2-((3-methylbenzyl)thio)-1H-benzo[d]imidazole, UPCMLD0ENAT5479998:001
| Molecular Formula | C15H14N2S |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.08777 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 253168-40-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3N2 |
| InChIKey | NHKYIEMLFDDAPD-UHFFFAOYSA-N |
Product Overview
2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole (CAS 253168-40-0), with molecular formula C15H14N2S and molecular weight 254.09 g/mol. IUPAC: 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
Property Insights of 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
The XLogP value of 4.2 indicates that 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole has 1 hydrogen bond donor(s) and 2 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 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The CAS number of 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is 253168-40-0.
What is the molecular formula of 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular formula of 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is C15H14N2S.
What is the molecular weight of 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular weight of 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is 254.09 g/mol.
Where can I buy 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
You can request a quote for 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3-Methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.