2-Phenyl-1,3-dithiane - ≥98% , CAS No.5425-44-5

CAS: 5425-44-5 Cat. No.: P589421 Peso molecular: 196.33 Número EC: 226-568-1 PubChem CID: 21547
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
AKOS024319038 | C10H12S2 | D71190 | 53TCS8B01P | P2660 | m-DITHIANE, 2-PHENYL- | SY235181 | 2-Phenyl-1,3-dithiane | NSC 12763 | FT-0613303 | BRN 0130879 | SCHEMBL24705 | 1,3-Dithiane, 2-phenyl- | NSC-12763 | UNII-53TCS8B01P | 2-phenyl-[1,3]dithiane | 2-Ph
Storage
Room temperature,Desiccated
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
P589421-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
9,90US$
5g
P589421-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

11,90US$

13,90US$
Guardar 2,00 US$ (14.39%)
25g
P589421-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

52,90US$

62,90US$
Guardar 10,00 US$ (15.90%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

The full set of NMR spectral parameters (1H, 13C, 31P) for 2-phenyl-1,3-dithiane has been reported.

Product Application:

2-Phenyl-1,3-dithiane is a versatile acyl anion equivalent and has been used in the preparation of benzaldehyde-1-d. 

Specifications

Sinónimos
AKOS024319038 | C10H12S2 | D71190 | 53TCS8B01P | P2660 | m-DITHIANE, 2-PHENYL- | SY235181 | 2-Phenyl-1, 3-dithiane | NSC 12763 | FT-0613303 | BRN 0130879 | SCHEMBL24705 | 1, 3-Dithiane, 2-phenyl- | NSC-12763 | UNII-53TCS8B01P | 2-phenyl-[1, 3]dithiane | 2-Ph
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature, Desiccated
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC1CSC(SC1)C2=CC=CC=C2
IUPAC Name2-phenyl-1,3-dithiane
InChIKeyGXKPARDRBFURON-UHFFFAOYSA-N
INCHI1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2
Isómeros SMILES C1CSC(SC1)C2=CC=CC=C2
WGK Alemania 3
PubChem CID 21547
Peso molecular 196.33

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseDithianes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentDithianes
Alternative Parents Benzene and substituted derivatives  Dithioacetals  Dialkylthioethers  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzenoid - 1,3-dithiane - Monocyclic benzene moiety - Thioacetal - Dialkylthioether - Thioether - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as dithianes. These are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular196.300 g/mol
XLogP33.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass196.038 Da
Monoisotopic Mass196.038 Da
Topological Polar Surface Area50.600 Ų
Heavy Atom Count12
Formal Charge0
Complexity124.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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