4,5-Dihydro-3(2H)-thiophenone - ≥98% , CAS No.1003-04-9

CAS: 1003-04-9 Cat. No.: D106839 Peso molecular: 102.15 Beilstein Registry Number: 105201 Número EC: 213-698-9

GRADE & PURITY ≥98%

Synonyms

Tetrahydrothiophen-3-one | Q-100017 | Dihydro-3-(2H)-thiophenone (tetrahydrothiophen-3-one) | DIHYDRO-3(2H)THIOPHENONE, 4,5- | UNII-0E9MKH53DV | 0E9MKH53DV | A800092 | BBL027522 | NSC241151 | NSC-241151 | HY-W010594 | PS-9308 | D3511 | FEMA No. 3266 | STL

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Application：

4,5-Dihydro-3(2H)-thiophenone is a volatile organic sulfur compound (VOSC) produced by basidiomycetous yeasts.

Specifications

Sinónimos

Tetrahydrothiophen-3-one | Q-100017 | Dihydro-3-(2H)-thiophenone (tetrahydrothiophen-3-one) | DIHYDRO-3(2H)THIOPHENONE, 4, 5- | UNII-0E9MKH53DV | 0E9MKH53DV | A800092 | BBL027522 | NSC241151 | NSC-241151 | HY-W010594 | PS-9308 | D3511 | FEMA No. 3266 | STL

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753759
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753759
• Sonrisas canónicas: C1CSCC1=O
• IUPAC Name: thiolan-3-one
• InChIKey: DSXFPRKPFJRPIB-UHFFFAOYSA-N
• INCHI: 1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
• Isómeros SMILES: C1CSCC1=O
• WGK Alemania: 3
• Peso molecular: 102.15
• Beilstein: 105201
• Reaxy-Rn: 105201
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105201&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiolanes
• Alternative Parents: Cyclic ketones Dialkylthioethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiolane - Cyclic ketone - Ketone - Dialkylthioether - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom.
• 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.528
• Punto de inflamación (°F): 172.4 °F
• Punto de inflamación (°C): 78 °C
• Punto de ebullición (°C): 175°C
• Peso molecular: 102.160 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 102.014 Da
• Monoisotopic Mass: 102.014 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 69.900
• 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