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Substance Name: Benzenethiol, p-methoxy-
RN: 696-63-9
InChIKey: NIFAOMSJMGEFTQ-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-O-S

Molecular Weight

  • 140.205
 
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Names and Synonyms

Synonyms

  • 4-06-00-05790 (Beilstein Handbook Reference)
  • Benzenethiol, p-methoxy-
  • BRN 1446910
  • EINECS 211-799-2
  • NSC 100727
  • p-Methoxybenzenethiol

Systematic Names

  • 4-Methoxybenzenethiol
  • Benzenethiol, 4-methoxy- (9CI)
  • Benzenethiol, p-methoxy-

Registry Numbers

CAS Registry Number

  • 696-63-9

System Generated Number

  • 0000696639

Structure Descriptors

InChI

1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3

InChIKey

NIFAOMSJMGEFTQ-UHFFFAOYSA-N

Smiles

c1(ccc(S)cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04701,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 228 deg C   EXP
log P (octanol-water) 2.770 (none)   EST
Atmospheric OH Rate Constant 1.24E-11 cm3/molecule-sec 25 EST

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