Cas no 1226148-83-9 (2-methoxy-5-methylbenzene-1-carbothioamide)

2-methoxy-5-methylbenzene-1-carbothioamide structure
1226148-83-9 structure
Product Name:2-methoxy-5-methylbenzene-1-carbothioamide
CAS No:1226148-83-9
MF:C9H11NOS
MW:181.254740953445
CID:4563676
PubChem ID:53645821
Update Time:2024-03-01

2-methoxy-5-methylbenzene-1-carbothioamide Chemical and Physical Properties

Names and Identifiers

    • Benzenecarbothioamide, 2-methoxy-5-methyl-
    • 2-methoxy-5-methylbenzene-1-carbothioamide
    • Inchi: 1S/C9H11NOS/c1-6-3-4-8(11-2)7(5-6)9(10)12/h3-5H,1-2H3,(H2,10,12)
    • InChI Key: AJGHIKKOAMKRMC-UHFFFAOYSA-N
    • SMILES: C1(C(N)=S)=CC(C)=CC=C1OC

Computed Properties

  • Exact Mass: 181.05613515g/mol
  • Monoisotopic Mass: 181.05613515g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 1.9
  • Topological Polar Surface Area: 67.3?2

2-methoxy-5-methylbenzene-1-carbothioamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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$535.0 2023-09-19
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$986.0 2023-06-04
Enamine
EN300-1838210-2.5g
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$2858.0 2023-06-04
Enamine
EN300-1838210-10.0g
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$4236.0 2023-06-04
Enamine
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