Catalog No.:AA00C5X9

324779-96-6 | 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}nicotinic acid

Name: Name:2-{[(2E)-3-phenylprop-2-en-1-yl]thio}nicotinic acid
Brand: AABLOCKS
SKU: AA00C5X9
Rating: 90 (10 reviews)

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Purity

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Price(USD)

Quantity

95%

in stock

$162.00 $114.00

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Technical Information

Catalog Number:

AA00C5X9

Chemical Name:

2-{[(2E)-3-phenylprop-2-en-1-yl]thio}nicotinic acid

CAS Number:

324779-96-6

Molecular Formula:

C15H13NO2S

Molecular Weight:

271.3342

MDL Number:

MFCD01795583

SMILES:

OC(=O)c1cccnc1SC/C=C/c1ccccc1

Properties

Computed Properties

Complexity:

313

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

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Tags:324779-96-6 Molecular Formula|324779-96-6 MDL|324779-96-6 SMILES|324779-96-6 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}nicotinic acid

Catalog No.: AA00C5X9

324779-96-6 | 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}nicotinic acid

Pack Size： 1g

Purity： 95%

in stock

$162.00 $114.00

Quantity

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Technical Information

Catalog Number: AA00C5X9

Chemical Name: 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}nicotinic acid

CAS Number: 324779-96-6

Molecular Formula: C15H13NO2S

Molecular Weight: 271.3342

MDL Number: MFCD01795583

SMILES: OC(=O)c1cccnc1SC/C=C/c1ccccc1

Properties

Complexity: 313

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 19

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 1

XLogP3: 3.4

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