Skip to the beginning of the images gallery

N-Phenylthiobenzamide - >98.0%(HPLC), high purity , CAS No.636-04-4

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 636-04-4
Molecular Weight: 213.3
Beilstein Registry Number: 12(3)507
MDL number: MFCD00022147
PubChem CID: 668263
PubChem SID: 504759813

In stock

Item Number

N140452

Grouped product items
SKU	Size	Availability	Price
N140452-250mg	250mg	3	$13.90
N140452-1g	1g	3	$42.90
N140452-5g	5g	3	$163.90
N140452-25g	25g	2	$633.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	FT-0632701 \| NSC2580 \| NSC-2580 \| BBL000179 \| N-phenylbenzenecN-Phenylthiobenzamidearbothioamide \| USAF EK-2010 \| CS-W014967 \| WLN: SUYR&MR \| NCGC00175512-01 \| N-Phenylbenzenecarbothioamide \| N-phenyl-benzenecarbothioamide \| EINECS 211-248-6 \| SCHEMBL5576
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504759813
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759813
IUPAC Name	N-phenylbenzenecarbothioamide
INCHI	InChI=1S/C13H11NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKey	BOQKCADLPNLYCZ-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2
Isomeric SMILES	C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2
RTECS	CV8925000
Molecular Weight	213.3
Beilstein	12(3)507
Reaxy-Rn	639593
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639593&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
C2202226	Certificate of Analysis	Feb 07, 2022	N140452
C2211497	Certificate of Analysis	Feb 07, 2022	N140452
C2211067	Certificate of Analysis	Feb 07, 2022	N140452
C2211502	Certificate of Analysis	Feb 07, 2022	N140452
C2211043	Certificate of Analysis	Feb 07, 2022	N140452

Chemical and Physical Properties

Melt Point(°C)	100.0-104.0°C
Molecular Weight	213.300 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	213.061 Da
Monoisotopic Mass	213.061 Da
Topological Polar Surface Area	44.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	203.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration