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Aldehydes and ketones

Cyclohexanone, 3-mercapto-

Also known as 3-Mercaptocyclohexonone, 3-sulfanylcyclohexan-1-one

CAS 33449-52-4Formula C6H10OSMolar mass 130.21 g/mol
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Cyclohexanone, 3-mercapto- chemical structure, C6H10OS, CAS 33449-52-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
33449-52-4
Formula
C6H10OS
Molar mass
130.21 g/mol
HS code
293090
Category
Aldehydes and ketones

What is Cyclohexanone, 3-mercapto-?

Plain description, key identifiers and synonyms

Cyclohexanone, 3-mercapto- is a chemical substance with the molecular formula C6H10OS and a molar mass of 130.21 g/mol. Its CAS registry number is 33449-52-4. The IUPAC name is 3-sulfanylcyclohexan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-sulfanylcyclohexan-1-one
CAS number
33449-52-4 CAS number cross-checked
Molecular formula
C6H10OS
InChIKey
CUQXFHSMSQMEKQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10OS/c7-5-2-1-3-6(8)4-5/h6,8H,1-4H2
SMILES (canonical and isomeric)
C1CC(CC(=O)C1)S

Synonyms

  • 3-Mercaptocyclohexonone
  • 3-sulfanylcyclohexan-1-one

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
130.21 g/molcalc.
Exact mass
130.0452 Dacalc.
LogP (octanol/water)
1.43calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
8calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C1CCCCC1

O=C1CCCCC1

1 ring, 7 atoms, the Cyclohexanone ring system.

2,698 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Cyclohexanone, 3-mercapto- suppliers

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Cyclohexanone, 3-mercapto- 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

United States

  • TSCA inventory (USA)
    Status: Inactive in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Cyclohexanone, 3-mercapto- 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 Cyclohexanone, 3-mercapto- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cyclohexanone, 3-mercapto-, based on the data on this page

What is Cyclohexanone, 3-mercapto-?

Cyclohexanone, 3-mercapto- is a chemical substance with the molecular formula C6H10OS and a molar mass of 130.21 g/mol. Its CAS registry number is 33449-52-4. The IUPAC name is 3-sulfanylcyclohexan-1-one.

What is the CAS number of Cyclohexanone, 3-mercapto-?

The CAS registry number of Cyclohexanone, 3-mercapto- is 33449-52-4.

What is the molecular formula and weight of Cyclohexanone, 3-mercapto-?

The molecular formula of Cyclohexanone, 3-mercapto- is C6H10OS and its molar mass is 130.21 g/mol.

What is Cyclohexanone, 3-mercapto- used for?

Known uses and roles of Cyclohexanone, 3-mercapto- include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cyclohexanone, 3-mercapto- hazardous?

No GHS hazard classification for Cyclohexanone, 3-mercapto- is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Cyclohexanone, 3-mercapto-?

Cyclohexanone, 3-mercapto- 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 Cyclohexanone, 3-mercapto-?

Post a free request on CompoundList and suppliers of Cyclohexanone, 3-mercapto- will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cyclohexanone, 3-mercapto-?

Suppliers quote Cyclohexanone, 3-mercapto- 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 Cyclohexanone, 3-mercapto-

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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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