3-Mercaptopropiononitrile - ≥95% , CAS No.1001-58-7

CAS: 1001-58-7 Cat. No.: M302020 Molecular Weight: 87.14 EC Number: 213-682-1
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
1001-58-7|Propanenitrile, 3-mercapto-|3-mercaptopropanenitrile|3-sulfanylpropanenitrile|3-Mercaptopropionitrile|3-Mercaptopropiononitrile|1-Cyano-2-mercaptoethane|Ethanethiol, 2-cyano-|Ethane, 1-cyano-2-mercapto-|3-mercaptopropanonitrile|KTV2WN28SV|MFCD00
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
Size
Status
Price
Qty
250mg
M302020-250mg
3
$32.90
1g
M302020-1g
1
$91.90
5g
M302020-5g
2
$308.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1001-58-7 | Propanenitrile, 3-mercapto- | 3-mercaptopropanenitrile | 3-sulfanylpropanenitrile | 3-Mercaptopropionitrile | 3-Mercaptopropiononitrile | 1-Cyano-2-mercaptoethane | Ethanethiol, 2-cyano- | Ethane, 1-cyano-2-mercapto- | 3-mercaptopropanonitrile | KTV2WN28SV | MFCD00
Specifications & Purity
≥95%
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Pubchem Sid504754538
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754538
Canonical SmilesC(CS)C#N
IUPAC Name3-sulfanylpropanenitrile
InChIKeyFCTXEFOUDMXDPD-UHFFFAOYSA-N
INCHI1S/C3H5NS/c4-2-1-3-5/h5H,1,3H2
Isomeric SMILES C(CS)C#N
Molecular Weight 87.14
Reaxy-Rn 1738135
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738135&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassOrganic cyanides
Intermediate Tree Nodes Not available
Direct ParentNitriles
Alternative Parents Alkylthiols  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Nitrile - Carbonitrile - Alkylthiol - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDateItem
L2304306Certificate of AnalysisNov 22, 2023 M302020
L2304307Certificate of AnalysisNov 22, 2023 M302020
L2304311Certificate of AnalysisNov 22, 2023 M302020
L2304312Certificate of AnalysisNov 22, 2023 M302020
L2304313Certificate of AnalysisNov 22, 2023 M302020
L2304315Certificate of AnalysisNov 22, 2023 M302020
Chemical and Physical Properties
Flash Point(°C)77.1℃
Boil Point(°C)203.9℃at 760 mmHg
Molecular Weight87.150 g/mol
XLogP30.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass87.0143 Da
Monoisotopic Mass87.0143 Da
Topological Polar Surface Area24.800 Ų
Heavy Atom Count5
Formal Charge0
Complexity51.200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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