Cas no 181820-03-1 (5-Benzothiazolemethanol,a-methyl-)

5-Benzothiazolemethanol,a-methyl- structure
181820-03-1 structure
Product Name:5-Benzothiazolemethanol,a-methyl-
CAS No:181820-03-1
MF:C9H9NOS
MW:179.238860845566
CID:113717
PubChem ID:45077207
Update Time:2025-04-18

5-Benzothiazolemethanol,a-methyl- Chemical and Physical Properties

Names and Identifiers

    • 5-Benzothiazolemethanol,a-methyl-
    • 5-Benzothiazolemethanol,α-methyl-(9CI)
    • 1-(Benzo[d]thiazol-5-yl)ethanol
    • 5-Benzothiazolemethanol,alpha-methyl-(9CI)
    • SCHEMBL17541608
    • 181820-03-1
    • CS-0144964
    • 1-(BENZO[D]THIAZOL-5-YL)ETHAN-1-OL
    • 1-(1,3-benzothiazol-5-yl)ethanol
    • Inchi: 1S/C9H9NOS/c1-6(11)7-2-3-9-8(4-7)10-5-12-9/h2-6,11H,1H3
    • InChI Key: OKPBVDZHVNDNKR-UHFFFAOYSA-N
    • SMILES: S1C=NC2=C1C=CC(=C2)C(C)O

Computed Properties

  • Exact Mass: 179.04000
  • Monoisotopic Mass: 179.04
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 61.4A^2

Experimental Properties

  • PSA: 61.36000
  • LogP: 2.34960

5-Benzothiazolemethanol,a-methyl- Pricemore >>

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