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S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate structure
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S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate

TL;DR: S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate (CAS 63979-92-0) is a chemical compound with molecular formula C10H14O2S3 and molecular weight 262.0156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate

CAS Number
63979-92-0
Molecular Formula
C10H14O2S3
Molecular Weight
262.0156 g/mol
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Technical Specifications

Molecular FormulaC10H14O2S3
Molecular Weight262.0156 g/mol
XLogP2.0
Topological Polar Surface Area (TPSA)110.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds8
Exact Mass262.0156 Da
Heavy Atoms15
Complexity233.0
SMILESCC(=O)SCC=CSC=CCSC(=O)C
InChIKeySTEAHRMZOBVQGD-UHFFFAOYSA-N

Chemical Property Profile of S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate

XLogP
2.0
TPSA (Topological Polar Surface Area)
110.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
8
Heavy Atoms
15
Complexity
233.0
Exact Mass
262.0156
Monoisotopic Mass
262.0156
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 S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate

The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate. Following Lipinski's Rule of Five, S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate 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

What is the CAS number of S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate?

The CAS number of S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate is 63979-92-0.

What is the molecular formula of S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate?

The molecular formula of S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate is C10H14O2S3.

What is the molecular weight of S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate?

The molecular weight of S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate is 262.0156 g/mol.

Where can I buy S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate?

You can request a quote for S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate?

Yes, CoreyChem provides custom synthesis services for S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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