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3012-37-1,MFCD00001832
Catalog No.:AA003O1W

3012-37-1 | Benzyl thiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%(GC)
in stock  
$24.00   $17.00
- +
25g
98%(GC)
in stock  
$42.00   $29.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003O1W
Chemical Name:
Benzyl thiocyanate
CAS Number:
3012-37-1
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
MDL Number:
MFCD00001832
SMILES:
N#CSCc1ccccc1
Properties
Properties
 
BP:
232.0°C  
Form:
Solid  
MP:
39-41 °C(lit.)  
Refractive Index:
1.6000 (estimate)  
Solubility:
diethyl ether: soluble0.5g/10 mL, clear to very faintly turbid, colorless to almost colorless  
Stability:
Moisture Sensitive  

Computed Properties
 
Complexity:
129  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Literature

Title: Kinetic and mechanistic aspects of atom transfer radical addition (ATRA) catalyzed by copper complexes with tris(2-pyridylmethyl)amine.

Journal: Inorganic chemistry 20121105

Title: Core shell hybrids based on noble metal nanoparticles and conjugated polymers: synthesis and characterization.

Journal: Nanoscale research letters 20110101

Title: Validation of Different Methods of Preparation of Adhatoda vasica Leaf Juice by Quantification of Total Alkaloids and Vasicine.

Journal: Indian journal of pharmaceutical sciences 20080101

Title: Palladium-catalyzed, copper(I)-mediated coupling of boronic acids and benzylthiocyanate. A cyanide-free cyanation of boronic acids.

Journal: Organic letters 20060914

Title: Phenethyl isothiocyanate triggers apoptosis in Jurkat cells made resistant by the overexpression of Bcl-2.

Journal: Cancer research 20060701

Title: Regioselective bond cleavage in the dissociative electron transfer to benzyl thiocyanates: the role of radical/ion pair formation.

Journal: Journal of the American Chemical Society 20060524

Title: Structure-activity relationship of S-benzylisothiourea derivatives to induce spherical cells in Escherichia coli.

Journal: Bioscience, biotechnology, and biochemistry 20041101

Title: Regioselective bond cleavage in the dissociative electron transfer to benzyl thiocyanates.

Journal: Journal of the American Chemical Society 20031022

Title: Involvement of toxicity as an early event in urinary bladder carcinogenesis induced by phenethyl isothiocyanate, benzyl isothiocyanate, and analogues in F344 rats.

Journal: Toxicologic pathology 20030101

Title: Composition of the essential oil of Lepidium meyenii (Walp).

Journal: Phytochemistry 20020901

Title: Preparation of 2,6-dimethyl-4-arylpyridine- 3,5-dicarbonitrile: a paired electrosynthesis.

Journal: The Journal of organic chemistry 20020405

Title: Major proteins related to chlortetracycline biosynthesis in a Streptomyces aureofaciens production strain studied by quantitative proteomics.

Journal: Applied microbiology and biotechnology 20011201

Title: Benzyl isothiocyanate is the chief or sole anthelmintic in papaya seed extracts.

Journal: Phytochemistry 20010601

Title: Polarographic investigation of reduction process of some azodyes and their complexes with rare earths.

Journal: Talanta 20010412

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Tags:3012-37-1 Molecular Formula|3012-37-1 MDL|3012-37-1 SMILES|3012-37-1 Benzyl thiocyanate
Catalog No.: AA003O1W
3012-37-1,MFCD00001832
3012-37-1 | Benzyl thiocyanate
Pack Size： 5g
Purity： 98%(GC)
in stock
$24.00 $17.00
Pack Size： 25g
Purity： 98%(GC)
in stock
$42.00 $29.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA003O1W
Chemical Name: Benzyl thiocyanate
CAS Number: 3012-37-1
Molecular Formula: C8H7NS
Molecular Weight: 149.2129
MDL Number: MFCD00001832
SMILES: N#CSCc1ccccc1
Properties
BP: 232.0°C  
Form: Solid  
MP: 39-41 °C(lit.)  
Refractive Index: 1.6000 (estimate)  
Solubility: diethyl ether: soluble0.5g/10 mL, clear to very faintly turbid, colorless to almost colorless  
Stability: Moisture Sensitive  
Complexity: 129  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Literature fold

Title: Kinetic and mechanistic aspects of atom transfer radical addition (ATRA) catalyzed by copper complexes with tris(2-pyridylmethyl)amine.

Journal: Inorganic chemistry20121105

Title: Core shell hybrids based on noble metal nanoparticles and conjugated polymers: synthesis and characterization.

Journal: Nanoscale research letters20110101

Title: Validation of Different Methods of Preparation of Adhatoda vasica Leaf Juice by Quantification of Total Alkaloids and Vasicine.

Journal: Indian journal of pharmaceutical sciences20080101

Title: Palladium-catalyzed, copper(I)-mediated coupling of boronic acids and benzylthiocyanate. A cyanide-free cyanation of boronic acids.

Journal: Organic letters20060914

Title: Phenethyl isothiocyanate triggers apoptosis in Jurkat cells made resistant by the overexpression of Bcl-2.

Journal: Cancer research20060701

Title: Regioselective bond cleavage in the dissociative electron transfer to benzyl thiocyanates: the role of radical/ion pair formation.

Journal: Journal of the American Chemical Society20060524

Title: Structure-activity relationship of S-benzylisothiourea derivatives to induce spherical cells in Escherichia coli.

Journal: Bioscience, biotechnology, and biochemistry20041101

Title: Regioselective bond cleavage in the dissociative electron transfer to benzyl thiocyanates.

Journal: Journal of the American Chemical Society20031022

Title: Involvement of toxicity as an early event in urinary bladder carcinogenesis induced by phenethyl isothiocyanate, benzyl isothiocyanate, and analogues in F344 rats.

Journal: Toxicologic pathology20030101

Title: Composition of the essential oil of Lepidium meyenii (Walp).

Journal: Phytochemistry20020901

Title: Preparation of 2,6-dimethyl-4-arylpyridine- 3,5-dicarbonitrile: a paired electrosynthesis.

Journal: The Journal of organic chemistry20020405

Title: Major proteins related to chlortetracycline biosynthesis in a Streptomyces aureofaciens production strain studied by quantitative proteomics.

Journal: Applied microbiology and biotechnology20011201

Title: Benzyl isothiocyanate is the chief or sole anthelmintic in papaya seed extracts.

Journal: Phytochemistry20010601

Title: Polarographic investigation of reduction process of some azodyes and their complexes with rare earths.

Journal: Talanta20010412

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