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Aromatic building blocks

4-Phenylcyclohexanethiol

Also known as 4-phenylcyclohexane-1-thiol

CAS 1039320-23-4Formula C12H16SMolar mass 192.33 g/molEC 831-580-0
GHS signal word: Warning. Pictograms: Harmful or irritant
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4-Phenylcyclohexanethiol chemical structure, C12H16S, CAS 1039320-23-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1039320-23-4
Formula
C12H16S
Molar mass
192.33 g/mol
EC number
831-580-0
HS code
293090
Category
Aromatic building blocks

What is 4-Phenylcyclohexanethiol?

Plain description, key identifiers and synonyms

4-Phenylcyclohexanethiol is a chemical substance with the molecular formula C12H16S and a molar mass of 192.33 g/mol. Its CAS registry number is 1039320-23-4. The IUPAC name is 4-phenylcyclohexane-1-thiol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-phenylcyclohexane-1-thiol
CAS number
1039320-23-4
EC number
831-580-0
Molecular formula
C12H16S
InChIKey
HSUGQRCMAWNUTK-UHFFFAOYSA-N
InChI
InChI=1S/C12H16S/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
SMILES (canonical and isomeric)
C1CC(CCC1C2=CC=CC=C2)S

Synonyms

  • 4-phenylcyclohexane-1-thiol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
192.33 g/molcalc.
Exact mass
192.0973 Dacalc.
LogP (octanol/water)
3.64calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
13calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(C2CCCCC2)cc1

c1ccc(C2CCCCC2)cc1

2 rings, 12 atoms, the Cyclohexylbenzene ring system.

4,255 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (20)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

4-Phenylcyclohexanethiol suppliers

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4-Phenylcyclohexanethiol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 4-Phenylcyclohexanethiol is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 4-Phenylcyclohexanethiol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-Phenylcyclohexanethiol, based on the data on this page

What is 4-Phenylcyclohexanethiol?

4-Phenylcyclohexanethiol is a chemical substance with the molecular formula C12H16S and a molar mass of 192.33 g/mol. Its CAS registry number is 1039320-23-4. The IUPAC name is 4-phenylcyclohexane-1-thiol.

What is the CAS number of 4-Phenylcyclohexanethiol?

The CAS registry number of 4-Phenylcyclohexanethiol is 1039320-23-4.

What is the molecular formula and weight of 4-Phenylcyclohexanethiol?

The molecular formula of 4-Phenylcyclohexanethiol is C12H16S and its molar mass is 192.33 g/mol.

What is 4-Phenylcyclohexanethiol used for?

Known uses and roles of 4-Phenylcyclohexanethiol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 4-Phenylcyclohexanethiol hazardous?

4-Phenylcyclohexanethiol carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 4-Phenylcyclohexanethiol?

4-Phenylcyclohexanethiol is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4-Phenylcyclohexanethiol?

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What is the price of 4-Phenylcyclohexanethiol?

Suppliers quote 4-Phenylcyclohexanethiol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 4-Phenylcyclohexanethiol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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