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(Benzylthio)acetone - 98%, high purity , CAS No.10230-69-0

COA

Grade & Purity:

≥98%

Cas Number: 10230-69-0
Molecular Weight: 180.271
MDL number: MFCD00026241
PubChem CID: 82472

In stock

Item Number

B299724

Grouped product items
SKU	Size	Availability	Price	Qty
B299724-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
B299724-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$594.90

Discover (Benzylthio)acetone by Aladdin Scientific in 98% for only $169.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-(Benzylthio)acetone \| 10230-69-0 \| 1-(Benzylthio)-2-propanone \| (Benzylthio)acetone \| 1-benzylsulfanylpropan-2-one \| 2-Propanone, 1-[(phenylmethyl)thio]- \| 1-(benzylsulfanyl)propan-2-one \| .alpha.-(Benzylthio)acetone \| 1-(benzylthio)propan-2-one \| EINECS 233-552-8 \| benzyl
Specifications & Purity	≥98%
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	Ketones Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Ketone - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - 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

IUPAC Name	1-benzylsulfanylpropan-2-one
INCHI	InChI=1S/C10H12OS/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey	OIEDQMIEPJIRFT-UHFFFAOYSA-N
Smiles	CC(=O)CSCC1=CC=CC=C1
Isomeric SMILES	CC(=O)CSCC1=CC=CC=C1
Molecular Weight	180.271
Reaxy-Rn	1866268
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866268&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	>100°C
Boil Point(°C)	155-156°/17mm
Molecular Weight	180.270 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	180.061 Da
Monoisotopic Mass	180.061 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	139.000
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

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