Cas no 17514-61-3 (3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid)

3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid structure
17514-61-3 structure
Product Name:3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid
CAS No:17514-61-3
MF:C10H7NO4S
MW:237.231881380081
CID:906274
PubChem ID:268634
Update Time:2025-04-19

3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid
    • 3-methyl-5-nitro-benzo[b]thiophene-2-carboxylic acid
    • 3-Methyl-5-nitro-benzo< b> thiophen-2-carbonsaeure
    • AA-516
    • AC1L6KOS
    • AC1Q20N0
    • AR-1F4333
    • CTK4D5370
    • NSC108936
    • SureCN1063565
    • 3-Methyl-5-nitro-benzothiophene-2-carboxylic acid
    • Benzo[b]thiophene-2-carboxylic acid, 3-methyl-5-nitro-
    • NSC-108936
    • Z2049897832
    • DTXSID70296357
    • NSC 108936
    • DS-014286
    • EN300-11750267
    • methyl-5-nitrobenzo[b]thiophene-2-carboxylic acid
    • SCHEMBL1063565
    • 17514-61-3
    • AA-516/30011021
    • 5-nitro-3-methyl-1-benzothiophene-2-carboxylic acid
    • Inchi： 1S/C10H7NO4S/c1-5-7-4-6(11(14)15)2-3-8(7)16-9(5)10(12)13/h2-4H,1H3,(H,12,13)
    • InChI Key： MPHOQACYYKZYIG-UHFFFAOYSA-N
    • SMILES： S1C(C(=O)O)=C(C)C2C=C(C=CC1=2)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 237.00961
  • Monoisotopic Mass: 237.00957888g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 316
  • 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
  • Topological Polar Surface Area: 111?2

Experimental Properties

  • PSA: 80.44
  • LogP: 3.33930

3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-11750267-0.05g
3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid
 17514-61-3 95.0%
0.05g
 $72.0 2025-03-21
Enamine
EN300-11750267-0.1g
3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid
 17514-61-3 95.0%
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Enamine
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 17514-61-3 95.0%
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 $154.0 2025-03-21
Enamine
EN300-11750267-0.5g
3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid
 17514-61-3 95.0%
0.5g
 $243.0 2025-03-21
Enamine
EN300-11750267-1.0g
3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid
 17514-61-3 95.0%
1.0g
 $311.0 2025-03-21
Enamine
EN300-11750267-2.5g
3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid
 17514-61-3 95.0%
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Enamine
EN300-11750267-5.0g
3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid
 17514-61-3 95.0%
5.0g
 $749.0 2025-03-21
Enamine
EN300-11750267-10.0g
3-methyl-5-nitro-1-benzothiophene-2-carboxylic acid
 17514-61-3 95.0%
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 $1092.0 2025-03-21
1PlusChem
1P0020TD-50mg
Benzo[b]thiophene-2-carboxylic acid, 3-methyl-5-nitro-
 17514-61-3 95%
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1PlusChem
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 17514-61-3 95%
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