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Substance Name: 4-Thiocresol
RN: 106-45-6
UNII: 6L2WW9XYZO
InChIKey: WLHCBQAPPJAULW-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-S

Molecular Weight

  • 124.2062
 
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Names and Synonyms

Name of Substance

  • 4-Thiocresol

Synonyms

  • 1-Mercapto-4-methylbenzene
  • 4-06-00-02153 (Beilstein Handbook Reference)
  • 4-Methylbenzenethiol
  • 4-Methylphenyl mercaptan
  • 4-Methylphenylmercaptan
  • 4-Methylthiophenol
  • 4-Thiocresol
  • 4-Toluenethiol
  • AI3-09056
  • Benzenethiol, 4-methyl-
  • BRN 0605761
  • EINECS 203-399-1
  • HSDB 2024
  • NSC 2227
  • p-Mercaptotoluene
  • p-Methylbenzenethiol
  • p-Methylphenyl mercaptan
  • p-Methylphenylmercaptan
  • p-Methylthiophenol
  • p-Thiocresol
  • p-Thiolcresol
  • p-Toluenethiol
  • p-Tolyl mercaptan
  • p-Tolylthiol
  • p-Tolylthiophenol
  • Toluene, 4-mercapto-
  • UNII-6L2WW9XYZO
  • USAF EK-510

Systematic Names

  • Benzenethiol, 4-methyl-
  • p-Toluenethiol
  • Toluene-4-thiol

Registry Numbers

CAS Registry Number

  • 106-45-6

FDA UNII

  • 6L2WW9XYZO

System Generated Number

  • 0000106456

Structure Descriptors

InChI

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

InChIKey

WLHCBQAPPJAULW-UHFFFAOYSA-N

Smiles

c1(ccc(S)cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43 deg C   EXP
Boiling Point 195 deg C   EXP
pKa Dissociation Constant 6.82 (none) 25 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.