2-Propanethiol - ≥96% , CAS No.75-33-2

CAS: 75-33-2 Cat. No.: P106796 Peso molecular: 76.16 Beilstein Registry Number: 605260 Número EC: 200-861-4

GRADE & PURITY ≥96%

Synonyms

E52LR62ETC | Isopropylmercaptan | NCGC00258722-01 | 2-PROPANE-D7-THIOL | 2-Propanethiol, >=97.0% (GC) | 1219803-56-1 | AI3-22988 | EN300-29731 | CAS-75-33-2 | 2-propanthiol | 2-Propanethiol | Isopropylthiol | EINECS 200-861-4 | isopropyl thiol | HSDB 625

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

E52LR62ETC | Isopropylmercaptan | NCGC00258722-01 | 2-PROPANE-D7-THIOL | 2-Propanethiol, >=97.0% (GC) | 1219803-56-1 | AI3-22988 | EN300-29731 | CAS-75-33-2 | 2-propanthiol | 2-Propanethiol | Isopropylthiol | EINECS 200-861-4 | isopropyl thiol | HSDB 625

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

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Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504751073
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751073
• Sonrisas canónicas: CC(C)S
• IUPAC Name: propane-2-thiol
• InChIKey: KJRCEJOSASVSRA-UHFFFAOYSA-N
• INCHI: 1S/C3H8S/c1-3(2)4/h3-4H,1-2H3
• Isómeros SMILES: CC(C)S
• WGK Alemania: 3
• RTECS: TZ7302000
• Número ONU: 2402
• Grupo de embalaje: II
• Peso molecular: 76.16
• Beilstein: 605260
• Reaxy-Rn: 605260
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605260&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• External Descriptors: alkanethiol

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

Objetivos asociados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Air sensitive
• Índice de refracción: 1.425
• Punto de inflamación (°F): -29.2 °F
• Punto de inflamación (°C): -34℃
• Punto de ebullición (°C): 57°C
• Punto de fusión (°C): 131°C
• Peso molecular: 76.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 76.0347 Da
• Monoisotopic Mass: 76.0347 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.800
• 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

Referencias

1. Dong Wang, Dongfang Li, Malcolm A. Kelland, Haokun Cai, Jie Wang, Ying Xu, Ping Lu, Jian Dong.  (2022)  Unraveling Amphiphilic Poly(N-vinylcaprolactam)/Water Interface by Nuclear Magnetic Resonance Relaxometry: Control of Clathrate Hydrate Formation Kinetics.  LANGMUIR,      [PMID:35380846] [10.1021/acs.langmuir.2c00472]

2. Dong Wang, Malcolm A. Kelland, Ying Xu, Xin Wang, Ping Lu, Jian Dong.  (2024)  Kinetic Hydrate Inhibition of Poly(N-isopropylacrylamide) and Poly(N-isopropylmethacrylamide): A Comprehensive Analysis of Amphiphilicity and Hydrogen Bonding Effect.  ENERGY & FUELS,      [PMID:] [10.1021/acs.energyfuels.3c03865]