(10-Methyl-9-anthryl)methyl imidothiocarbamate , CAS No.M668276

CAS: M668276 Cat. No.: M668276 Peso molecular: 280.4
Disponible para pedir
Synonyms
(10-Methyl-9-anthryl)methyl imidothiocarbamate | E9QK2XW6VT | UNII-E9QK2XW6VT | NSC146109 | NSC 146109 | NSC-146109 | NCIStruc1_001785 | NCIStruc2_001799 | DTXSID30208178 | CCG-36633 | NCGC00014387 | NCI146109 | NCGC00014387-03 | NCGC00092324-02 | NCI60_0
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
M668276-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
M668276-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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.

Specifications

Sinónimos
(10-Methyl-9-anthryl)methyl imidothiocarbamate | E9QK2XW6VT | UNII-E9QK2XW6VT | NSC146109 | NSC 146109 | NSC-146109 | NCIStruc1_001785 | NCIStruc2_001799 | DTXSID30208178 | CCG-36633 | NCGC00014387 | NCI146109 | NCGC00014387-03 | NCGC00092324-02 | NCI60_0
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP5.1
Nombres e identificadores
Sonrisas canónicasCC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSC(=N)N
IUPAC Name(10-methylanthracen-9-yl)methyl carbamimidothioate
InChIKeyHXWYHTMSLSSLAO-UHFFFAOYSA-N
INCHI1S/C17H16N2S/c1-11-12-6-2-4-8-14(12)16(10-20-17(18)19)15-9-5-3-7-13(11)15/h2-9H,10H2,1H3,(H3,18,19)
Isómeros SMILES CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSC(=N)N
Peso molecular 280.4
Reaxy-Rn 3969382
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3969382&ln=

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
ClaseAnthracenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAnthracenes
Alternative Parents Isothioureas  Sulfenyl compounds  Carboximidamides  Organopnictogen compounds  Imines  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Anthracene - Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Imine - Aromatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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 molecular280.400 g/mol
XLogP35.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass280.103 Da
Monoisotopic Mass280.103 Da
Topological Polar Surface Area75.200 Ų
Heavy Atom Count20
Formal Charge0
Complexity333.000
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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