Cyclohexylmethyl isothiocyanate - ≥97% , CAS No.52395-66-1

CAS: 52395-66-1 Cat. No.: C140404 Formula: C₈H₁₃NS Peso molecolare: 155.26 Numero EC: 622-930-1

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1448756 | AS-61174 | Cyclohexylmethyl isothiocyanate | DTXSID80200405 | BP-12936 | NSC400136 | NSC-400136 | isothiocyanatomethylcyclohexane | Cyclohexanemethyl isothiocyanate | Cyclohexylmethyl isothiocyanate, 97% | (Isothiocyanatomethyl)cyclohexan

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

SCHEMBL1448756 | AS-61174 | Cyclohexylmethyl isothiocyanate | DTXSID80200405 | BP-12936 | NSC400136 | NSC-400136 | isothiocyanatomethylcyclohexane | Cyclohexanemethyl isothiocyanate | Cyclohexylmethyl isothiocyanate, 97% | (Isothiocyanatomethyl)cyclohexan

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 508813502
• Sorrisi canonici: C1CCC(CC1)CN=C=S
• IUPAC Name: isothiocyanatomethylcyclohexane
• InChIKey: RYBJNWIQNLZNPE-UHFFFAOYSA-N
• INCHI: 1S/C8H13NS/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2
• Isomeri SMILES: C1CCC(CC1)CN=C=S
• WGK Germania: 3
• Peso molecolare: 155.26
• Reaxy-Rn: 2079123
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079123&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Isothiocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Isothiocyanates
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isothiocyanates
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Heat sensitive ;Moisture sensitive
• Indice di rifrazione: 1.534
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 222-223 °C
• Peso molecolare: 155.260 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 155.077 Da
• Monoisotopic Mass: 155.077 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 132.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1