2-Phenyl-1,2,4-triaza-spiro[4.5]decane-3-thione - ≥95% , CAS No.39263-81-5

CAS: 39263-81-5 Cat. No.: P698973 Peso molecular: 247.36 PubChem CID: 749973
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
P698973-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

3.579,90US$

4.176,90US$
Guardar 597,00 US$ (14.29%)
2g
P698973-2g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
7.067,90US$
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Why this grade

≥95% 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.

Specifications

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasC1CCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3
IUPAC Name2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione
InChIKeyMUADWFSXXPVRAV-UHFFFAOYSA-N
INCHI1S/C13H17N3S/c17-12-14-13(9-5-2-6-10-13)15-16(12)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,14,17)
Isómeros SMILES C1CCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3
PubChem CID 749973
Peso molecular 247.36

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
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Triazolidines  Azacyclic compounds  Organosulfur compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Monocyclic benzene moiety - Triazolidine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular247.360 g/mol
XLogP33.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass247.114 Da
Monoisotopic Mass247.114 Da
Topological Polar Surface Area59.400 Ų
Heavy Atom Count17
Formal Charge0
Complexity293.000
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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