Home Other Building Blocks Benzoyl isothiocyanate

Benzoyl isothiocyanate

CAS No.:
532-55-8
Catalog Number:
AG0034I4
Molecular Formula:
C8H5NOS
Molecular Weight:
163.1964
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$38
- +
100g
97%
In Stock USA
United States
$113
- +
500g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG0034I4
Chemical Name:
Benzoyl isothiocyanate
CAS Number:
532-55-8
Molecular Formula:
C8H5NOS
Molecular Weight:
163.1964
MDL Number:
MFCD00004815
IUPAC Name:
benzoyl isothiocyanate
InChI:
InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
InChI Key:
CPEKAXYCDKETEN-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)c1ccccc1
EC Number:
208-540-0
UNII:
U8J7Q32B86
NSC Number:
29259
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.194g/mol
Monoisotopic Mass:
163.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Structural, antimicrobial and computational characterization of 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121201
1-Benzoyl-3-(2,4,5-trichloro-phen-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20120101
1-Benzoyl-3-(4-n-butyl-phen-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20120101
Carbene-mediated transformations of 1-(benzylideneamino)benzimidazoles. The Journal of organic chemistry 20110520
(±)-1,2-Bis(N'-benzoyl-thio-ureido)cyclo-hexa-ne. Acta crystallographica. Section E, Structure reports online 20110501
1-Benzoyl-3-ethyl-3-phenyl-thio-urea. Acta crystallographica. Section E, Structure reports online 20110301
N-(3-Chloro-4-eth-oxy-benzo-yl)-N'-(2-meth-oxy-phen-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20110201
1-Benzoyl-3-(4-hy-droxy-phen-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20101201
Solid phase extraction of uranium(VI) onto benzoylthiourea-anchored activated carbon. Journal of hazardous materials 20100415
N-Benzoyl-N'-(2-chloro-3-pyrid-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20090801
3,3'-Dibenzoyl-1,1'-(3,6-dioxaoctane-1,8-di-yl)dithio-urea. Acta crystallographica. Section E, Structure reports online 20090301
Synthesis, Antiinflammatory and HIV-1 Integrase Inhibitory Activities of 1,2-Bis[5-thiazolyl]ethane-1,2-dione Derivatives. Indian journal of pharmaceutical sciences 20090101
1-(4-Nitro-benzo-yl)-3-(4-nitro-phen-yl)-thio-urea acetone hemisolvate. Acta crystallographica. Section E, Structure reports online 20081101
N-(2-Chloro-benzo-yl)-N'-(3-pyrid-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20080801
cis-Bis(N-benzoyl-N',N'-dibenzyl-thio-ureato-κO,S)nickel(II). Acta crystallographica. Section E, Structure reports online 20080701
3,3'-Dibenzoyl-1,1'-(butane-1,4-diyl)-dithio-urea. Acta crystallographica. Section E, Structure reports online 20080401
Tris(N-benzoyl-N',N'-diphenyl-thio-ureato-κO,S)cobalt(III). Acta crystallographica. Section E, Structure reports online 20080301
[Synthesis and bioactivity of N- [4- ( benzimidazole-2-thio) phenyl] -N'-alkyl guanidine derivatives]. Yao xue xue bao = Acta pharmaceutica Sinica 20070201
[Synthesis and nNOS inhibitory activity of benzenealkyl isothiourea compounds]. Yao xue xue bao = Acta pharmaceutica Sinica 20030801
Efficient synthesis of 2,9-disubstituted 8-hydroxyadenine derivatives. Organic & biomolecular chemistry 20030421
Protease inhibitors: synthesis of a series of bacterial collagenase inhibitors of the sulfonyl amino acyl hydroxamate type. Journal of medicinal chemistry 20010621
Properties