1,3-Dithiolane - ≥97% , CAS No.4829-04-3

CAS: 4829-04-3 Cat. No.: D469264 Peso molecular: 106.21 PubChem CID: 20970
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
341G58G6YL | CHEBI:38079 | 1,3-DITHIOLANE | MFCD00041425 | 1,3-Dithiolane, 97% | InChI=1/C3H6S2/c1-2-5-3-4-1/h1-3H | DTXSID90197473 | UNII-341G58G6YL | NSC 193357 | NSC193357 | NSC-193357 | Q27117371 | 1,3-Dithiacyclopentane | Dithiolane | AKOS025293915 |
Storage
Room temperature
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Size
Estado
Price
Qty
1g
D469264-1g
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203,90US$

401,90US$
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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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

1,3-Dithiolane ,a sulfur containing heterocyclic building block, is a cyclic thioether. Fragmentation modes of 1,3-oxathiolane under electron-impact have been investigated.

Specifications

Sinónimos
341G58G6YL | CHEBI:38079 | 1, 3-DITHIOLANE | MFCD00041425 | 1, 3-Dithiolane, 97% | InChI=1/C3H6S2/c1-2-5-3-4-1/h1-3H | DTXSID90197473 | UNII-341G58G6YL | NSC 193357 | NSC193357 | NSC-193357 | Q27117371 | 1, 3-Dithiacyclopentane | Dithiolane | AKOS025293915 |
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasC1CSCS1
IUPAC Name1,3-dithiolane
InChIKeyIMLSAISZLJGWPP-UHFFFAOYSA-N
INCHI1S/C3H6S2/c1-2-5-3-4-1/h1-3H2
Isómeros SMILES C1CSCS1
PubChem CID 20970
Peso molecular 106.21

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
ClaseDithiolanes
Subclass1,3-dithiolanes
Intermediate Tree Nodes Not available
Direct Parent1,3-dithiolanes
Alternative Parents Dithioacetals  Dialkylthioethers  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents 1,3-dithiolane - Thioacetal - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 1,3-dithiolanes. These are organic compounds containing a 1,3-dithiolane ring. 1,3-dithiolane moiety is a 5-membered saturated aliphatic ring with three carbon atoms, and two sulfur atoms at the 1- and 3- ring positions.
External Descriptors dithiolane
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
Índice de refracciónn20/D 1.599 (lit.)
Punto de inflamación (°F)154.4 °F - closed cup
Punto de inflamación (°C)68 °C - closed cup
Punto de ebullición (°C)183℃ (lit.)
Peso molecular106.210 g/mol
XLogP31.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass105.991 Da
Monoisotopic Mass105.991 Da
Topological Polar Surface Area50.600 Ų
Heavy Atom Count5
Formal Charge0
Complexity24.100
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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