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2-AMINO-3-CHLOROTHIOPHENOL - ≥95%, high purity , CAS No.40925-72-2

COA

Grade & Purity:

≥95%

Cas Number: 40925-72-2
Molecular Weight: 159.64
PubChem CID: 12678667

In stock

Item Number

A727019

Grouped product items
SKU	Size	Availability	Price	Qty
A727019-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$330.90
A727019-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$850.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Thiophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Thiophenols
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiophenols
Alternative Parents	Aniline and substituted anilines Chlorobenzenes Aryl chlorides Thiols Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Thiophenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Arylthiol - Organochloride - Organohalogen compound - Organosulfur compound - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
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

IUPAC Name	2-amino-3-chlorobenzenethiol
INCHI	InChI=1S/C6H6ClNS/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2
InChIKey	XERMPLQXCQQVGU-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)Cl)N)S
Isomeric SMILES	C1=CC(=C(C(=C1)Cl)N)S
PubChem CID	12678667
Molecular Weight	159.64

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	159.640 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	158.991 Da
Monoisotopic Mass	158.991 Da
Topological Polar Surface Area	27.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.100
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

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