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N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide structure
Fine Chemical

N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

TL;DR: N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 804486-37-1) is a chemical compound with molecular formula C14H16N4OS and molecular weight 288.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Also Known As: N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-cyclopropyl-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-cyclopropyl-2-(4-methyl-5-phenyl(1,2,4-triazol-3-ylthio))acetamide

CAS Number
804486-37-1
Molecular Formula
C14H16N4OS
Molecular Weight
288.1045 g/mol
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Technical Specifications

Molecular FormulaC14H16N4OS
Molecular Weight288.1045 g/mol
XLogP1.8
Topological Polar Surface Area (TPSA)85.1 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors4
Rotatable Bonds5
Exact Mass288.1045 Da
Heavy Atoms20
Complexity344.0
SMILESCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CC=C3
InChIKeyMWOJZHNBOSWKPW-UHFFFAOYSA-N

Chemical Property Profile of N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

XLogP
1.8
TPSA (Topological Polar Surface Area)
85.1
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
20
Complexity
344.0
Exact Mass
288.1045
Monoisotopic Mass
288.1045
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The CAS number of N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is 804486-37-1.

What is the molecular formula of N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The molecular formula of N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is C14H16N4OS.

What is the molecular weight of N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The molecular weight of N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is 288.1045 g/mol.

Where can I buy N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

You can request a quote for N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

Yes, CoreyChem provides custom synthesis services for N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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