532-55-8,MFCD00004815
Catalog No.:AA0034FC

532-55-8 | Benzoyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$12.00   $8.00
- +
25g
97%
in stock  
$37.00   $26.00
- +
100g
97%
in stock  
$120.00   $84.00
- +
500g
97
in stock  
$435.00   $305.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0034FC
Chemical Name:
Benzoyl isothiocyanate
CAS Number:
532-55-8
Molecular Formula:
C8H5NOS
Molecular Weight:
163.1964
MDL Number:
MFCD00004815
SMILES:
S=C=NC(=O)c1ccccc1
NSC Number:
29259
Properties
Properties
 
BP:
128-131 °C15 mm Hg(lit.)  
Form:
Liquid  
MP:
128 °C  
Refractive Index:
n20/D 1.6354(lit.)  
Stability:
Moisture Sensitive/Lachrymatory  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Literature

Title: Structural, antimicrobial and computational characterization of 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121201

Title: 1-Benzoyl-3-(2,4,5-trichloro-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20120101

Title: 1-Benzoyl-3-(4-n-butyl-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20120101

Title: Carbene-mediated transformations of 1-(benzylideneamino)benzimidazoles.

Journal: The Journal of organic chemistry 20110520

Title: (±)-1,2-Bis(N'-benzoyl-thio-ureido)cyclo-hexa-ne.

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: 1-Benzoyl-3-ethyl-3-phenyl-thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20110301

Title: N-(3-Chloro-4-eth-oxy-benzo-yl)-N'-(2-meth-oxy-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: 1-Benzoyl-3-(4-hy-droxy-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: Solid phase extraction of uranium(VI) onto benzoylthiourea-anchored activated carbon.

Journal: Journal of hazardous materials 20100415

Title: N-Benzoyl-N'-(2-chloro-3-pyrid-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: 3,3'-Dibenzoyl-1,1'-(3,6-dioxaoctane-1,8-di-yl)dithio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20090301

Title: Synthesis, Antiinflammatory and HIV-1 Integrase Inhibitory Activities of 1,2-Bis[5-thiazolyl]ethane-1,2-dione Derivatives.

Journal: Indian journal of pharmaceutical sciences 20090101

Title: 1-(4-Nitro-benzo-yl)-3-(4-nitro-phen-yl)-thio-urea acetone hemisolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20081101

Title: N-(2-Chloro-benzo-yl)-N'-(3-pyrid-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20080801

Title: cis-Bis(N-benzoyl-N',N'-dibenzyl-thio-ureato-κO,S)nickel(II).

Journal: Acta crystallographica. Section E, Structure reports online 20080701

Title: 3,3'-Dibenzoyl-1,1'-(butane-1,4-diyl)-dithio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20080401

Title: Tris(N-benzoyl-N',N'-diphenyl-thio-ureato-κO,S)cobalt(III).

Journal: Acta crystallographica. Section E, Structure reports online 20080301

Title: [Synthesis and bioactivity of N- [4- ( benzimidazole-2-thio) phenyl] -N'-alkyl guanidine derivatives].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20070201

Title: [Synthesis and nNOS inhibitory activity of benzenealkyl isothiourea compounds].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20030801

Title: Efficient synthesis of 2,9-disubstituted 8-hydroxyadenine derivatives.

Journal: Organic & biomolecular chemistry 20030421

Title: Protease inhibitors: synthesis of a series of bacterial collagenase inhibitors of the sulfonyl amino acyl hydroxamate type.

Journal: Journal of medicinal chemistry 20010621

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SDS
Tags:532-55-8 Molecular Formula|532-55-8 MDL|532-55-8 SMILES|532-55-8 Benzoyl isothiocyanate
Catalog No.: AA0034FC
532-55-8,MFCD00004815
532-55-8 | Benzoyl isothiocyanate
Pack Size: 5g
Purity: 97%
in stock
$12.00 $8.00
Pack Size: 25g
Purity: 97%
in stock
$37.00 $26.00
Pack Size: 100g
Purity: 97%
in stock
$120.00 $84.00
Pack Size: 500g
Purity: 97
in stock
$435.00 $305.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0034FC
Chemical Name: Benzoyl isothiocyanate
CAS Number: 532-55-8
Molecular Formula: C8H5NOS
Molecular Weight: 163.1964
MDL Number: MFCD00004815
SMILES: S=C=NC(=O)c1ccccc1
NSC Number: 29259
Properties
BP: 128-131 °C15 mm Hg(lit.)  
Form: Liquid  
MP: 128 °C  
Refractive Index: n20/D 1.6354(lit.)  
Stability: Moisture Sensitive/Lachrymatory  
Storage: 2-8℃;  
Complexity: 190  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Literature fold

Title: Structural, antimicrobial and computational characterization of 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20121201

Title: 1-Benzoyl-3-(2,4,5-trichloro-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online20120101

Title: 1-Benzoyl-3-(4-n-butyl-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online20120101

Title: Carbene-mediated transformations of 1-(benzylideneamino)benzimidazoles.

Journal: The Journal of organic chemistry20110520

Title: (±)-1,2-Bis(N'-benzoyl-thio-ureido)cyclo-hexa-ne.

Journal: Acta crystallographica. Section E, Structure reports online20110501

Title: 1-Benzoyl-3-ethyl-3-phenyl-thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online20110301

Title: N-(3-Chloro-4-eth-oxy-benzo-yl)-N'-(2-meth-oxy-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online20110201

Title: 1-Benzoyl-3-(4-hy-droxy-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online20101201

Title: Solid phase extraction of uranium(VI) onto benzoylthiourea-anchored activated carbon.

Journal: Journal of hazardous materials20100415

Title: N-Benzoyl-N'-(2-chloro-3-pyrid-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online20090801

Title: 3,3'-Dibenzoyl-1,1'-(3,6-dioxaoctane-1,8-di-yl)dithio-urea.

Journal: Acta crystallographica. Section E, Structure reports online20090301

Title: Synthesis, Antiinflammatory and HIV-1 Integrase Inhibitory Activities of 1,2-Bis[5-thiazolyl]ethane-1,2-dione Derivatives.

Journal: Indian journal of pharmaceutical sciences20090101

Title: 1-(4-Nitro-benzo-yl)-3-(4-nitro-phen-yl)-thio-urea acetone hemisolvate.

Journal: Acta crystallographica. Section E, Structure reports online20081101

Title: N-(2-Chloro-benzo-yl)-N'-(3-pyrid-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online20080801

Title: cis-Bis(N-benzoyl-N',N'-dibenzyl-thio-ureato-κO,S)nickel(II).

Journal: Acta crystallographica. Section E, Structure reports online20080701

Title: 3,3'-Dibenzoyl-1,1'-(butane-1,4-diyl)-dithio-urea.

Journal: Acta crystallographica. Section E, Structure reports online20080401

Title: Tris(N-benzoyl-N',N'-diphenyl-thio-ureato-κO,S)cobalt(III).

Journal: Acta crystallographica. Section E, Structure reports online20080301

Title: [Synthesis and bioactivity of N- [4- ( benzimidazole-2-thio) phenyl] -N'-alkyl guanidine derivatives].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica20070201

Title: [Synthesis and nNOS inhibitory activity of benzenealkyl isothiourea compounds].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica20030801

Title: Efficient synthesis of 2,9-disubstituted 8-hydroxyadenine derivatives.

Journal: Organic & biomolecular chemistry20030421

Title: Protease inhibitors: synthesis of a series of bacterial collagenase inhibitors of the sulfonyl amino acyl hydroxamate type.

Journal: Journal of medicinal chemistry20010621

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