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Substance Name: 2-Thiocresol
RN: 137-06-4
UNII: 6FU2EGI4VS
InChIKey: LXUNZSDDXMPKLP-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-S

Molecular Weight

  • 124.2062
 
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Names and Synonyms

Name of Substance

  • 2-Thiocresol

Synonyms

  • 2-Methylbenzenethiol
  • 2-Methylphenylthiol
  • 2-Methylthiophenol
  • 2-Thiocresol
  • 2-Toluenethiol
  • 4-06-00-02014 (Beilstein Handbook Reference)
  • Benzenethiol, 2-methyl-
  • BRN 0774068
  • EINECS 205-276-8
  • FEMA No. 3240
  • HSDB 2022
  • NSC 80655
  • o-Mercaptotoluene
  • o-Methylbenzenethiol
  • o-Methylthiophenol
  • o-Thiocresol
  • o-Toluenethiol
  • o-Tolyl mercaptan
  • Toluene, 2-mercapto-
  • Tolylmercaptan, o-
  • Tolylthiol, o-
  • UNII-6FU2EGI4VS
  • USAF EK-2676

Systematic Names

  • Benzenethiol, 2-methyl-
  • o-Toluenethiol
  • Toluene-2-thiol

Superlist Name

  • Toluenethiol, o-

Registry Numbers

CAS Registry Number

  • 137-06-4

FDA UNII

  • 6FU2EGI4VS

System Generated Number

  • 0000137064

Structure Descriptors

InChI

1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

InChIKey

LXUNZSDDXMPKLP-UHFFFAOYSA-N

Smiles

c1(c(cccc1)S)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 15 deg C   EXP
Boiling Point 195 deg C   EXP
log P (octanol-water) 3.230 (none)   EST
Water Solubility 168 mg/L 25 EST
Henry's Law Constant 5.76E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.40E-11 cm3/molecule-sec 25 EST

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