Cas no 123497-06-3 (2,4,6-trihydroxybenzene-1-carbothioamide)

2,4,6-trihydroxybenzene-1-carbothioamide structure
123497-06-3 structure
Product Name:2,4,6-trihydroxybenzene-1-carbothioamide
CAS No:123497-06-3
MF:C7H7NO3S
MW:185.200380563736
CID:3697355
PubChem ID:165612366
Update Time:2025-04-22

2,4,6-trihydroxybenzene-1-carbothioamide Chemical and Physical Properties

Names and Identifiers

    • Benzenecarbothioamide, 2,4,6-trihydroxy-
    • 2,4,6-trihydroxybenzene-1-carbothioamide
    • EN300-1735802
    • 123497-06-3
    • Inchi: 1S/C7H7NO3S/c8-7(12)6-4(10)1-3(9)2-5(6)11/h1-2,9-11H,(H2,8,12)
    • InChI Key: VAFPGNISQDNXNL-UHFFFAOYSA-N
    • SMILES: S=C(C1C(=CC(=CC=1O)O)O)N

Computed Properties

  • Exact Mass: 185.01466426Da
  • Monoisotopic Mass: 185.01466426Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 175
  • 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: 0.9
  • Topological Polar Surface Area: 119?2

2,4,6-trihydroxybenzene-1-carbothioamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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$1014.0 2023-09-20
Enamine
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$892.0 2023-09-20
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$933.0 2023-09-20
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Enamine
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$1014.0 2023-06-04
Enamine
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