Berteroin - ≥97% , CAS No.4430-42-6

CAS: 4430-42-6 Cat. No.: B275882 Fórmula: C7H13NS2 Peso molecular: 175.32
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
5-Methylthiopentyl isothiocyanate | DTXSID00196119 | LP088984 | LP-088984 | FEMA NO. 4416 | 1-ISOTHIOCYANATO-5-(METHYLTHIO)PENTANE | Berteroin | FT-0692792 | Pentane, 1-isothiocyanato-5-(methylthio)- | (5-Isothiocyanatopentyl)(methyl)sulfane | C75771 | 5-
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
Size
USA
Alemania (EU)*
Price
Qty
25mg
B275882-25mg
Fabricado bajo pedido · 8–12 semanas
167,90US$
50mg
B275882-50mg
Fabricado bajo pedido · 8–12 semanas
303,90US$
100mg
B275882-100mg
Fabricado bajo pedido · 8–12 semanas
525,90US$
500mg
B275882-500mg
Fabricado bajo pedido · 8–12 semanas
1.749,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos
5-Methylthiopentyl isothiocyanate | DTXSID00196119 | LP088984 | LP-088984 | FEMA NO. 4416 | 1-ISOTHIOCYANATO-5-(METHYLTHIO)PENTANE | Berteroin | FT-0692792 | Pentane, 1-isothiocyanato-5-(methylthio)- | (5-Isothiocyanatopentyl)(methyl)sulfane | C75771 | 5-
Especificaciones y pureza
≥97%
Mecanismos bioquímicos y fisiológicos
Antimetastatic agent. Reduces transcription of the androgen receptor. Sulforaphane analog with nonoxidised sulphur. Shows antitumor effects. Shows bactericidal effects in vivo.
Fuente
Synthetic
Condiciones de almacenamiento de almacenamiento
Store at -20°C,Desiccated
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Nota
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasCSCCCCCN=C=S
IUPAC Name1-isothiocyanato-5-methylsulfanylpentane
InChIKeyHBVIMVJTUQNSEP-UHFFFAOYSA-N
INCHI1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3
Isómeros SMILES CSCCCCCN=C=S
Peso molecular 175.32
Reaxy-Rn 1758766
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758766&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
SuperclassOrganosulfur compounds
ClaseIsothiocyanates
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIsothiocyanates
Alternative Parents Sulfenyl compounds  Propargyl-type 1,3-dipolar organic compounds  Dialkylthioethers  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Isothiocyanate - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TRPV1 Tclin Vanilloid receptor (8273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 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
SolubilidadSoluble in ethanol and in DMSO
Peso molecular175.300 g/mol
XLogP33.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass175.049 Da
Monoisotopic Mass175.049 Da
Topological Polar Surface Area69.800 Ų
Heavy Atom Count10
Formal Charge0
Complexity108.000
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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