Cas no 29212-25-7 (5-tert-Butylthiophene-2-carboxylic Acid)

5-tert-Butylthiophene-2-carboxylic Acid structure
29212-25-7 structure
Product Name:5-tert-Butylthiophene-2-carboxylic Acid
CAS No:29212-25-7
MF:C9H12O2S
MW:184.255381584167
MDL:MFCD01566583
CID:1005239
PubChem ID:458349
Update Time:2025-04-20

5-tert-Butylthiophene-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-TERT-BUTYL-THIOPHENE-2-CARBONYL CHLORIDE
    • 5-tert-Butylthiophene-2-carboxylic acid
    • 2-carboxy-5-tert-butylthiophene
    • 5-(1,1-dimethylethyl)-2-thiophenecarboxylic acid
    • 5-(tert-butyl)thiophene-2-carboxylic acid
    • 5-tert-butyl-2-thiophenecarboxylic acid
    • 5-tert-Butyl-thiophen-2-carbonsaeure
    • CTK7I8337
    • PubChem5446
    • SBB023957
    • SureCN335624
    • SCHEMBL335624
    • DTXSID30332503
    • AB01328526-02
    • 5-tert-Butyl-thiophene-2-carboxylic acid
    • GEO-03234
    • Z431535920
    • 5-tert-Butyl-2-thiophenecarboxylic acid #
    • 478022-18-3
    • BDBM50467720
    • EN300-109496
    • MFCD01566583
    • NCGC00335762-01
    • 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethyl)-
    • AMY37739
    • 2-Thiophenecarboxylic acid, 5-tert-butyl-
    • CHEMBL4285304
    • 5-TERT-BUTYL-THIOPHENE-2-CARBOXYLICACID
    • AKOS000313577
    • DA-36995
    • 5-tert-Butyl-thiophene-2-carboxylic acid, AldrichCPR
    • STK351004
    • CS-0062487
    • 29212-25-7
    • A819813
    • FS-1672
    • 5-tert-Butylthiophene-2-carboxylic Acid
    • MDL: MFCD01566583
    • Inchi: 1S/C9H12O2S/c1-9(2,3)7-5-4-6(12-7)8(10)11/h4-5H,1-3H3,(H,10,11)
    • InChI Key: BJDXNKJQTLSJPM-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=CC=C1C(C)(C)C

Computed Properties

  • Exact Mass: 202.02203
  • Monoisotopic Mass: 184.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 184
  • 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: 3.2
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • Density: 1.165±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 127-128 oC
  • Solubility: Very slightly soluble (0.13 g/l) (25 o C),
  • PSA: 17.07

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