Cas no 1531-80-2 (2-(benzylsulfanyl)benzoic acid)

2-(benzylsulfanyl)benzoic acid structure
1531-80-2 structure
Product Name:2-(benzylsulfanyl)benzoic acid
CAS No:1531-80-2
MF:C14H12O2S
MW:244.308882713318
CID:182802
PubChem ID:264182
Update Time:2025-04-19

2-(benzylsulfanyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-[(phenylmethyl)thio]-
    • 2-(BENZYLSULFANYL)BENZENECARBOXYLIC ACID
    • 2-benzylsulfanylbenzoic acid
    • 2-(3-CHLOROPHENYL)PROPIONIC ACID METHYL ESTER
    • 2-(Benzylthio)benzoesaeure
    • 2-(benzylthio)benzoic acid
    • 2-(phenylmethylthio)benzoic acid
    • 2-benzylsulfanyl-benzoic acid
    • benzoic acid,2-[(phenylmethyl)thio]
    • F0365-0008
    • o-(benzylthio)benzoic acid
    • S-benzylthiosalicylic acid
    • TIMTEC-BB SBB000842
    • 2-(phenylmethylsulfanyl)benzoic acid
    • 2-(benzylsulfanyl)benzoic acid
    • 7K-659S
    • 2-(benzylthio)benzoicacid
    • 2-Benzylsulfanyl Benzoic Acid
    • CDS1_004541
    • Cambridge id 5855860
    • J-506253
    • DIETHYL5-OXOCYCLOOCTANE-1,1-DICARBOXYLATE
    • SCHEMBL1901284
    • IQMZULGMADGDLC-UHFFFAOYSA-N
    • HMS1787H20
    • NSC99111
    • AT22896
    • MFCD00995231
    • BIM-0030094.P001
    • Z55950607
    • CBMicro_030205
    • S-benzyl thiosalicylic acid
    • CCG-50984
    • SR-01000640316-1
    • 1531-80-2
    • NS00097993
    • FT-0680564
    • EN300-1700792
    • CHEMBL4442818
    • DivK1c_005581
    • AKOS000141963
    • DTXSID20294984
    • 2-[(phenylmethyl)thio]benzoic acid
    • CS-0309224
    • NSC-99111
    • STK330614
    • ALBB-024830
    • benzoic acid, 2-[(phenylmethyl)thio]-
    • MDL： MFCD00995231
    • Inchi： 1S/C14H12O2S/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
    • InChI Key： IQMZULGMADGDLC-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=CC=1C(=O)O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 244.05600
  • Monoisotopic Mass: 244.0558
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 249
  • 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
  • Topological Polar Surface Area: 62.6
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.27
  • Melting Point: 180-182°C
  • Boiling Point: 406.5°Cat760mmHg
  • Flash Point: 199.6°C
  • PSA: 62.60000
  • LogP: 3.67710

2-(benzylsulfanyl)benzoic acid Security Information

  • HazardClass：IRRITANT

2-(benzylsulfanyl)benzoic acid Customs Data

  • HS CODE：2930909090
  • Customs Data：

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-(benzylsulfanyl)benzoic acid Pricemore >>

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2-(benzylsulfanyl)benzoic acid Related Literature

  • 1. 799. Mechanism of elimination reactions. Part XX. The inessentiality of steric strain in bimolecular olefin elimination
    D. V. Banthorpe,E. D. Hughes,Christopher Ingold J. Chem. Soc. 1960 4054

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