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Substance Name: Cyclohexanethiol
RN: 1569-69-3
UNII: N8HOD9900V
InChIKey: CMKBCTPCXZNQKX-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-S

Molecular Weight

  • 116.227
 
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Names and Synonyms

Name of Substance

  • Cyclohexanethiol

Synonyms

  • 4-06-00-00072 (Beilstein Handbook Reference)
  • BRN 1236342
  • Cyclohexanethiol
  • Cyclohexyl mercaptan
  • Cyclohexyl thiol
  • Cyclohexylthiol
  • Cyklohexanthiol
  • Cyklohexanthiol [Czech]
  • Cyklohexylmerkaptan
  • Cyklohexylmerkaptan [Czech]
  • EC 216-378-7
  • EINECS 216-378-7
  • HSDB 5840
  • NSC 59723
  • UNII-N8HOD9900V

Systematic Name

  • Cyclohexanethiol

Superlist Names

  • Cyclohexanethiol
  • Cyclohexyl mercaptan [UN3054] [Flammable liquid]
  • Cyclohexylmercaptan
  • UN3054

Registry Numbers

CAS Registry Number

  • 1569-69-3

FDA UNII

  • N8HOD9900V

System Generated Number

  • 0001569693

Structure Descriptors

InChI

1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

InChIKey

CMKBCTPCXZNQKX-UHFFFAOYSA-N

Smiles

C1(CCCCC1)S

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 158.9 deg C   EXP
log P (octanol-water) 3.050 (none)   EST
Water Solubility 260 mg/L 25 EST
Henry's Law Constant 4.75E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.25E-11 cm3/molecule-sec 25 EST

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