Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Chlorophenylmercapturic acid
RN: 21462-48-6
UNII: C347874F4S
InChIKey: NYIHHVVSWNGRAJ-JTQLQIEISA-N

Molecular Formula

  • C11-H12-Cl-N-O3-S

Molecular Weight

  • 273.7388
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 4-Chlorophenylmercapturic acid

Synonym

  • UNII-C347874F4S

Systematic Name

  • L-Cysteine, N-acetyl-S-(4-chlorophenyl)-

Registry Numbers

CAS Registry Number

  • 21462-48-6

FDA UNII

  • C347874F4S

System Generated Number

  • 0021462486

Structure Descriptors

InChI

1S/C11H12ClNO3S/c1-7(14)13-10(11(15)16)6-17-9-4-2-8(12)3-5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1

InChIKey

NYIHHVVSWNGRAJ-JTQLQIEISA-N

Smiles

CC(=O)N[C@@H](CSc1ccc(cc1)Cl)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.800 (none)   EST
Water Solubility 600 mg/L 10 EXP
Atmospheric OH Rate Constant 2.61E-11 cm3/molecule-sec 25 EST

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