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Propanenitrile, 3-mercapto- structure
Fine Chemical

Propanenitrile, 3-mercapto-

TL;DR: Propanenitrile, 3-mercapto- (CAS 1001-58-7) is a chemical compound with molecular formula C3H5NS and molecular weight 87.01427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-sulfanylpropanenitrile

Also Known As: 3-mercaptopropanenitrile, Propanenitrile, 3-mercapto-, 3-sulfanylpropanenitrile, 3-Mercaptopropiononitrile, 3-Mercaptopropionitrile

CAS Number
1001-58-7
Molecular Formula
C3H5NS
Molecular Weight
87.01427 g/mol
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Application Areas

Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (41 patents) Biotechnology (13 patents) Catalysts (4 patents) Coatings & Adhesives (11 patents) Dyes & Pigments (70 patents)

Technical Specifications

Molecular FormulaC3H5NS
Molecular Weight87.01427 g/mol
XLogP0.2
Topological Polar Surface Area (TPSA)24.8 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors2
Rotatable Bonds1
Exact Mass87.01427 Da
Heavy Atoms5
Complexity51.0
SMILESC(CS)C#N
InChIKeyFCTXEFOUDMXDPD-UHFFFAOYSA-N

Packaging: Sample packaging: 25g / 100g / 500g / 1kg foil pouches. Special products may require customized packaging — confirmed per inquiry.

Lead Time: Most products are manufactured to order; in-stock items are limited. Lead time varies by product — typically weeks to months — and is confirmed per inquiry.

Product Description

Applications: Propanenitrile, 3-mercapto- is used in imaging, photographic, and photosensitive formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Propanenitrile, 3-mercapto- (CAS 1001-58-7) is a photographic chemical with the molecular formula C3H5NS and a molecular weight of 87.01 g/mol. Synonyms include 3-mercaptopropanenitrile and Propanenitrile, 3-mercapto-.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Propanenitrile, 3-mercapto-

XLogP
0.2
TPSA (Topological Polar Surface Area)
24.8
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
5
Complexity
51.0
Exact Mass
87.01427
Monoisotopic Mass
87.01427
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 Propanenitrile, 3-mercapto-

The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-mercapto-. With a topological polar surface area (TPSA) of 24.8 Ų, Propanenitrile, 3-mercapto- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-mercapto- 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

What is the CAS number of Propanenitrile, 3-mercapto-?

The CAS number of Propanenitrile, 3-mercapto- is 1001-58-7.

What is the molecular formula of Propanenitrile, 3-mercapto-?

The molecular formula of Propanenitrile, 3-mercapto- is C3H5NS.

What is the molecular weight of Propanenitrile, 3-mercapto-?

The molecular weight of Propanenitrile, 3-mercapto- is 87.01427 g/mol.

What are the applications of Propanenitrile, 3-mercapto-?

Propanenitrile, 3-mercapto- is used in imaging, photographic, and photosensitive formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...

Where can I buy Propanenitrile, 3-mercapto-?

You can request a quote for Propanenitrile, 3-mercapto- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Propanenitrile, 3-mercapto-?

Yes, CoreyChem provides custom synthesis services for Propanenitrile, 3-mercapto- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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