Catalog No.:AA00EE1O

61499-10-3 | 4-Phenylbutyl isothiocyanate

Name: Name:4-Phenylbutyl isothiocyanate
Brand: AABLOCKS
SKU: AA00EE1O
Rating: 90 (10 reviews)

Pack Size

Purity

Availability

Price(USD)

Quantity

≥98%

2 weeks

$271.00 $190.00

- +

≥98%

2 weeks

$722.00 $506.00

- +

10g

≥98%

2 weeks

$1,226.00 $858.00

- +

Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA00EE1O

Chemical Name:

4-Phenylbutyl isothiocyanate

CAS Number:

61499-10-3

Molecular Formula:

C11H13NS

Molecular Weight:

191.2926

MDL Number:

MFCD00052335

SMILES:

S=C=NCCCCc1ccccc1

Properties

Computed Properties

Complexity:

167

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:

4.3

Literature

Title: Selective depletion of mutant p53 by cancer chemopreventive isothiocyanates and their structure-activity relationships.

Journal: Journal of medicinal chemistry 20110210

Title: Effect of organic isothiocyanates on the P-glycoprotein- and MRP1-mediated transport of daunomycin and vinblastine.

Journal: Pharmaceutical research 20021001

Title: Chemopreventive isothiocyanates induce apoptosis and caspase-3-like protease activity.

Journal: Cancer research 19980201

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Tags:61499-10-3 Molecular Formula|61499-10-3 MDL|61499-10-3 SMILES|61499-10-3 4-Phenylbutyl isothiocyanate

Catalog No.: AA00EE1O

61499-10-3 | 4-Phenylbutyl isothiocyanate

Pack Size： 1g

Purity： ≥98%

2 weeks

$271.00 $190.00

Pack Size： 5g

Purity： ≥98%

2 weeks

$722.00 $506.00

Pack Size： 10g

Purity： ≥98%

2 weeks

$1,226.00 $858.00

Quantity

- +

Add to Card

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bulk Quotation Request

Technical Information

Catalog Number: AA00EE1O

Chemical Name: 4-Phenylbutyl isothiocyanate

CAS Number: 61499-10-3

Molecular Formula: C11H13NS

Molecular Weight: 191.2926

MDL Number: MFCD00052335

SMILES: S=C=NCCCCc1ccccc1

Properties

Complexity: 167

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 4.3

Literature fold

Title: Selective depletion of mutant p53 by cancer chemopreventive isothiocyanates and their structure-activity relationships.

Journal: Journal of medicinal chemistry20110210

Title: Effect of organic isothiocyanates on the P-glycoprotein- and MRP1-mediated transport of daunomycin and vinblastine.

Journal: Pharmaceutical research20021001

Title: Chemopreventive isothiocyanates induce apoptosis and caspase-3-like protease activity.

Journal: Cancer research19980201

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