Cas no 4344-61-0 (1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole)

1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole structure
4344-61-0 structure
Product Name:1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
CAS No:4344-61-0
MF:C9H10N2S
MW:178.254100322723
MDL:MFCD00507035
CID:325275
PubChem ID:415665
Update Time:2025-04-19

1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole,1-methyl-2-(methylthio)-
    • 1H-Benzimidazole,1-methyl-2-(methylthio)-(8CI,9CI)
    • 1-Methyl-2-(methylthio)benzimidazole
    • Benzimidazole,1-methyl-2-(methylthio)- (6CI,7CI)
    • Z15478802
    • SCHEMBL4160892
    • CS-0245572
    • AKOS001450894
    • HMS1410L01
    • 1-methyl-2-methylsulfanylbenzimidazole
    • WXOHRQAMBKXWME-UHFFFAOYSA-N
    • 1-methyl-2-methylthiobenzimidazole
    • IDI1_008110
    • 1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
    • 1-Methyl-2-methylsulfanyl-1H-benzoimidazole
    • 4344-61-0
    • NCIOpen2_008763
    • CHEMBL223968
    • Enamine_005875
    • EN300-306871
    • MDL: MFCD00507035
    • Inchi: 1S/C9H10N2S/c1-11-8-6-4-3-5-7(8)10-9(11)12-2/h3-6H,1-2H3
    • InChI Key: WXOHRQAMBKXWME-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC2C=CC=CC=2N1C

Computed Properties

  • Exact Mass: 178.0566
  • Monoisotopic Mass: 178.05646950g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 163
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 327.9±25.0 °C at 760 mmHg
  • Flash Point: 152.1±23.2 °C
  • PSA: 17.82
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M356718-50mg
1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
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$ 50.00 2022-06-03
TRC
M356718-100mg
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$ 95.00 2022-06-03
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$ 320.00 2022-06-03
Enamine
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1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
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Enamine
EN300-306871-0.1g
1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
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Enamine
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Enamine
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Enamine
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Enamine
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1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
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Enamine
EN300-306871-5.0g
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