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Substance Name: Benzoic acid, o-mercapto-
RN: 147-93-3
UNII: CIP6LXN5XW
InChIKey: NBOMNTLFRHMDEZ-UHFFFAOYSA-N

Note

  • A degradation product of thimerosal.

Molecular Formula

  • C7-H6-O2-S

Molecular Weight

  • 154.1884
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Central Nervous System Agents
  • Peripheral Nervous System Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • 2-Mercaptobenzoic acid
  • 2-Thiosalicylic acid
  • Benzoic acid, 2-mercapto-
  • Benzoic acid, o-mercapto-

Synonyms

  • 2-Carboxythiophenol
  • 2-Mercaptobenzoic acid
  • 2-Sulfanylbenzoic acid
  • 2-Thiosalicylic acid
  • 4-10-00-00272 (Beilstein Handbook Reference)
  • AI3-23963
  • Benzoic acid, 2-mercapto-
  • BRN 0508507
  • EINECS 205-704-3
  • HSDB 2739
  • NSC 2184
  • NSC 660640
  • o-Benzoic acid thiol
  • o-Carboxythiophenol
  • o-Mercaptobenzoesaeure
  • o-Mercaptobenzoesaeure [German]
  • o-Mercaptobenzoic acid
  • o-Sulfhydrylbenzoic acid
  • o-Thiosalicylic acid
  • Salicylic acid, 2-thio-
  • Thiosalicylic acid
  • UNII-CIP6LXN5XW
  • USAF EK-T-2805
  • USAF KF-2
  • USAF XR-35

Systematic Names

  • 2-Mercaptobenzoic acid
  • Benzoic acid, 2-mercapto-
  • Benzoic acid, o-mercapto-

Registry Numbers

CAS Registry Number

  • 147-93-3

FDA UNII

  • CIP6LXN5XW

Other Registry Number

  • 860499-02-1

Related Registry Number

  • 134-23-6 (hydrochloride salt)

System Generated Number

  • 0000147933

Structure Descriptors

InChI

InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)

InChIKey

NBOMNTLFRHMDEZ-UHFFFAOYSA-N

Smiles

OC(=O)c1ccccc1S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 168.5 deg C   EXP
log P (octanol-water) 2.39 (none)   EXP
Water Solubility 662 mg/L 25 EST
Vapor Pressure 4.52E-04 mm Hg 25 EST
Henry's Law Constant 1.05E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.71E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.