Cas no 61738-47-4 (2-(propan-2-yl)benzene-1-sulfonyl Chloride)

2-(propan-2-yl)benzene-1-sulfonyl Chloride structure
61738-47-4 structure
Product Name:2-(propan-2-yl)benzene-1-sulfonyl Chloride
CAS No:61738-47-4
MF:C9H11ClO2S
MW:218.700440645218
CID:467914
PubChem ID:12916482
Update Time:2025-04-19

2-(propan-2-yl)benzene-1-sulfonyl Chloride Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonyl chloride, 2-(1-methylethyl)-
    • 2-propan-2-ylbenzenesulfonyl chloride
    • 61738-47-4
    • isopropylphenylsulfonyl chloride
    • EN300-171757
    • CS-0236542
    • 2-(Propan-2-yl)benzene-1-sulfonyl chloride
    • SCHEMBL1415493
    • DTXSID30512883
    • 2-Isopropylbenzenesulfonyl chloride
    • AKOS009145508
    • 2-(Propan-2-yl)benzene-1-sulfonylchloride
    • AT12640
    • VHORYVBOBIUIDS-UHFFFAOYSA-N
    • 2-(propan-2-yl)benzene-1-sulfonyl Chloride
    • Inchi: 1S/C9H11ClO2S/c1-7(2)8-5-3-4-6-9(8)13(10,11)12/h3-7H,1-2H3
    • InChI Key: VHORYVBOBIUIDS-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC=CC=1C(C)C)(=O)=O

Computed Properties

  • Exact Mass: 218.01693
  • Monoisotopic Mass: 218.0168285g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 253
  • 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: 3.1
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 34.14

2-(propan-2-yl)benzene-1-sulfonyl Chloride Pricemore >>

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