3-Methyl-2-butanethiol - ≥98% , CAS No.2084-18-6

CAS: 2084-18-6 Cat. No.: M103138 Summenformel: C₅H₁₂S Molekulargewicht: 104.21 Beilstein Registry Number: 1(4)1677 EG-Nummer: 218-223-9

GRADE & PURITY ≥98%

Synonyms

M2141 | SCHEMBL24505 | 3-Methyl-2-butanethiol | MFCD00039648 | 3-METHYL-1-BUTANETHIOL [FHFI] | DTXSID40862826 | FEMA No. 3304 | EN300-95058 | 1,2-Dimethylpropyl hydrosulfide # | Q27281466 | 3-Methyl-2-butanethiol, >=98% | UNII-JE3PR84J0B | (+/-)-3-METHYL-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

M2141 | SCHEMBL24505 | 3-Methyl-2-butanethiol | MFCD00039648 | 3-METHYL-1-BUTANETHIOL [FHFI] | DTXSID40862826 | FEMA No. 3304 | EN300-95058 | 1,2-Dimethylpropyl hydrosulfide # | Q27281466 | 3-Methyl-2-butanethiol, >=98% | UNII-JE3PR84J0B | (+/-)-3-METHYL-

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809025

Kanonisches Lächeln

CC(C)C(C)S

IUPAC Name

3-methylbutane-2-thiol

InChIKey

BFLXFRNPNMTTAA-UHFFFAOYSA-N

INCHI

1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3

Isomere SMILES

CC(C)C(C)S

WGK Deutschland

3

UN-Nummer

3336

Molekulargewicht

104.21

Beilstein

1(4)1677

Reaxy-Rn

1730954

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730954&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.444
• Flammpunkt (°F): 16 °C
• Flammpunkt (°C): 16°C
• Siedepunkt (°C): 109-112°C
• Molekulargewicht: 104.220 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 104.066 Da
• Monoisotopic Mass: 104.066 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 32.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1