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

CAS: 75-33-2 Cat. No.: P106796 Formula: C₃H₈S Peso molecolare: 76.16 Beilstein Registry Number: 605260 Numero 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

Sinonimi

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

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

FedEx DG Service

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 504751073
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751073
• Sorrisi canonici: CC(C)S
• IUPAC Name: propane-2-thiol
• InChIKey: KJRCEJOSASVSRA-UHFFFAOYSA-N
• INCHI: 1S/C3H8S/c1-3(2)4/h3-4H,1-2H3
• Isomeri SMILES: CC(C)S
• WGK Germania: 3
• RTECS: TZ7302000
• Numero UN: 2402
• Gruppo di imballaggio: II
• Peso molecolare: 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
    • Classe Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water.
• Sensibilità: Air sensitive
• Indice di rifrazione: 1.425
• Punto di infiammabilità (°F): -29.2 °F
• Punto di infiammabilità (°C): -34℃
• Punto di ebollizione (°C): 57°C
• Punto di fusione (°C): 131°C
• Peso molecolare: 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

Riferimenti

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]