Cas no 16807-30-0 (Benzenethiol, 3,4,5-trimethoxy-)

Benzenethiol, 3,4,5-trimethoxy- structure
16807-30-0 structure
Product Name:Benzenethiol, 3,4,5-trimethoxy-
CAS No:16807-30-0
MF:C9H12O3S
MW:200.254781723022
MDL:MFCD22627905
CID:1348909
PubChem ID:15198240
Update Time:2025-04-20

Benzenethiol, 3,4,5-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzenethiol, 3,4,5-trimethoxy-
    • 3,4,5-trimethoxythiophenol
    • SCHEMBL1337937
    • 3,4,5-TRIMETHOXYBENZENE-1-THIOL
    • 3,4,5-trimethoxybenzenethiol
    • 3,4,5-Trimethoxy-thiophenol
    • 3,4,5-trimethoxy thiophenol
    • 16807-30-0
    • EN300-673789
    • CS-0434542
    • BLFIUDXNGYVYMP-UHFFFAOYSA-N
    • 3,4,5-trimethoxyphenylmercaptan
    • MDL： MFCD22627905
    • Inchi： 1S/C9H12O3S/c1-10-7-4-6(13)5-8(11-2)9(7)12-3/h4-5,13H,1-3H3
    • InChI Key： BLFIUDXNGYVYMP-UHFFFAOYSA-N
    • SMILES： SC1C=C(C(=C(C=1)OC)OC)OC

Computed Properties

  • Exact Mass: 200.05076
  • Monoisotopic Mass: 200.05071541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 140
  • 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: 1.6
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • PSA: 27.69

Benzenethiol, 3,4,5-trimethoxy- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
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 16807-30-0 95%
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 $0.0 2023-06-07
Enamine
EN300-673789-2.5g
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Enamine
EN300-673789-5.0g
3,4,5-trimethoxybenzene-1-thiol
 16807-30-0
5.0g
 $2858.0 2023-03-11
Enamine
EN300-673789-10.0g
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 16807-30-0
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eNovation Chemicals LLC
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 16807-30-0 95%
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