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AA01726

1003-31-2 | Thiophene-2-carbonitrile

Packsize Purity Availability Price Discounted Price    Quantity
5g 98% In Stock US $12.00 $9.00 -   +
25g 98% In Stock US $40.00 $28.00 -   +
100g 98% In Stock US $135.00 $95.00 -   +

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*All prices are in USD.

Description
Catalog Number: AA01726
Chemical Name: Thiophene-2-carbonitrile
CAS Number: 1003-31-2
Molecular Formula: C5H3NS
Molecular Weight: 109.1490
MDL Number: MFCD00005416
IUPAC Name: thiophene-2-carbonitrile
InChl: InChI=1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H
InChl Key: CUPOOAWTRIURFT-UHFFFAOYSA-N
SMILES: N#Cc1cccs1

 

Computed Properties
Complexity: 102  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 108.999g/mol
Formal Charge: 0
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Molecular Weight: 109.146g/mol
Monoisotopic Mass: 108.999g/mol
Rotatable Bond Count: 0
Topological Polar Surface Area: 52A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.3  

 

 

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