![Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]- structure](/static/products/3751/3751-46-0.webp)
Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-
TL;DR: Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]- (CAS 3751-46-0) is a chemical compound with molecular formula C10H9N5S and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-phenyltetrazol-5-yl)sulfanylpropanenitrile
Also Known As: Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-, 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propiononitrile, 3-((1-Phenyl-1H-tetrazol-5-yl)thio)propiononitrile, 3-(1-phenyltetrazol-5-yl)sulfanylpropanenitrile, 5-(2-Cyan-aethylmercapto)-1-phenyl-tetrazol
| Molecular Formula | C10H9N5S |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.05786 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 3751-46-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCCC#N |
| InChIKey | MRIBCCHYZOSDOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]- (CAS 3751-46-0), with molecular formula C10H9N5S and molecular weight 231.06 g/mol. IUPAC: 3-(1-phenyltetrazol-5-yl)sulfanylpropanenitrile.
Chemical Property Profile of Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-
Property Insights of Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-. Following Lipinski's Rule of Five, Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]- has 0 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 Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-?
The CAS number of Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]- is 3751-46-0.
What is the molecular formula of Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-?
The molecular formula of Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]- is C10H9N5S.
What is the molecular weight of Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-?
The molecular weight of Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]- is 231.06 g/mol.
Where can I buy Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-?
You can request a quote for Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.