Methiotepa , CAS No.76-96-0

CAS: 76-96-0 Cat. No.: M1296985 EG-Nummer: 200-995-3 PubChem CID: 66161
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10mg
M1296985-10mg
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27,68€
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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.

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Literature proof

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

Specifications

Storage
Room temperature
Verschickt in
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Namen und Kennungen
Kanonisches LächelnCC1CN1P(=S)(N2CC2C)N3CC3C
IUPAC Nametris(2-methylaziridin-1-yl)-sulfanylidene-\u03bb5-phosphane
InChIKeyMLFGIRNMAOXTHS-UHFFFAOYSA-N
INCHI1S/C9H18N3PS/c1-7-4-10(7)13(14,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3
Isomere SMILES CC1CN1P(=S)(N2CC2C)N3CC3C
Alternative CAS-Nummer 20662-50-4,22633-95-0,76-96-0
PubChem CID 66161
NSC-Nummer 54055

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
KlasseOrganic thiophosphoric acids and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOrganic thiophosphoric acids and derivatives
Alternative Parents Aziridines  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Organic thiophosphoric acid or derivatives - Azacycle - Organoheterocyclic compound - Aziridine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as organic thiophosphoric acids and derivatives. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure RP(R')(R'')=S, where R,R',R'' = O,N, halogen residue.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht231.300 g/mol
XLogP32.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass231.096 Da
Monoisotopic Mass231.096 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count14
Formal Charge0
Complexity274.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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