Benzimidazole, 2-(3-(dimethylamino)propylthio)-
TL;DR: Benzimidazole, 2-(3-(dimethylamino)propylthio)- (CAS 63991-51-5) is a chemical compound with molecular formula C12H17N3S and molecular weight 235.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
Also Known As: NCIStruc1_001272, NCIStruc2_001443, 2-[3- propylthio]-1H-benzimidazole, 2-(3-(Dimethylamino)propylthio)benzimidazole, BENZIMIDAZOLE, 2-(3-(DIMETHYLAMINO)PROPYLTHIO)-
| Molecular Formula | C12H17N3S |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.11432 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 63991-51-5 |
|---|---|
| SMILES | CN(C)CCCSC1=NC2=CC=CC=C2N1 |
| InChIKey | REEFNQCXWFOXEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzimidazole, 2-(3-(dimethylamino)propylthio)- (CAS 63991-51-5), with molecular formula C12H17N3S and molecular weight 235.11 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of Benzimidazole, 2-(3-(dimethylamino)propylthio)-
Property Insights of Benzimidazole, 2-(3-(dimethylamino)propylthio)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazole, 2-(3-(dimethylamino)propylthio)-. With a topological polar surface area (TPSA) of 57.2 Ų, Benzimidazole, 2-(3-(dimethylamino)propylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole, 2-(3-(dimethylamino)propylthio)- has 1 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 Benzimidazole, 2-(3-(dimethylamino)propylthio)-?
The CAS number of Benzimidazole, 2-(3-(dimethylamino)propylthio)- is 63991-51-5.
What is the molecular formula of Benzimidazole, 2-(3-(dimethylamino)propylthio)-?
The molecular formula of Benzimidazole, 2-(3-(dimethylamino)propylthio)- is C12H17N3S.
What is the molecular weight of Benzimidazole, 2-(3-(dimethylamino)propylthio)-?
The molecular weight of Benzimidazole, 2-(3-(dimethylamino)propylthio)- is 235.11 g/mol.
Where can I buy Benzimidazole, 2-(3-(dimethylamino)propylthio)-?
You can request a quote for Benzimidazole, 2-(3-(dimethylamino)propylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 2-(3-(dimethylamino)propylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 2-(3-(dimethylamino)propylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.