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Aromatic building blocks

Hexanethioic acid, S-phenyl ester

Also known as S-Phenyl Hexanethioate

CAS 56974-15-3Formula C12H16OSMolar mass 208.33 g/mol
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Hexanethioic acid, S-phenyl ester chemical structure, C12H16OS, CAS 56974-15-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
56974-15-3
Formula
C12H16OS
Molar mass
208.33 g/mol
HS code
293090
Category
Aromatic building blocks

What is Hexanethioic acid, S-phenyl ester?

Plain description, key identifiers and synonyms

Hexanethioic acid, S-phenyl ester is a chemical substance with the molecular formula C12H16OS and a molar mass of 208.33 g/mol. Its CAS registry number is 56974-15-3. The IUPAC name is S-phenyl hexanethioate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
S-phenyl hexanethioate
CAS number
56974-15-3 CAS number cross-checked
Molecular formula
C12H16OS
InChIKey
YHYYVUXLLDDJKA-UHFFFAOYSA-N
InChI
InChI=1S/C12H16OS/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
SMILES (canonical and isomeric)
CCCCCC(=O)SC1=CC=CC=C1

Synonyms

  • S-Phenyl Hexanethioate

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
208.33 g/molcalc.
Exact mass
208.0922 Dacalc.
LogP (octanol/water)
3.89calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
5calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.42calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Hexanethioic acid, S-phenyl ester suppliers

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Hexanethioic acid, S-phenyl ester 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 Hexanethioic acid, S-phenyl ester 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 Hexanethioic acid, S-phenyl ester is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexanethioic acid, S-phenyl ester, based on the data on this page

What is Hexanethioic acid, S-phenyl ester?

Hexanethioic acid, S-phenyl ester is a chemical substance with the molecular formula C12H16OS and a molar mass of 208.33 g/mol. Its CAS registry number is 56974-15-3. The IUPAC name is S-phenyl hexanethioate.

What is the CAS number of Hexanethioic acid, S-phenyl ester?

The CAS registry number of Hexanethioic acid, S-phenyl ester is 56974-15-3.

What is the molecular formula and weight of Hexanethioic acid, S-phenyl ester?

The molecular formula of Hexanethioic acid, S-phenyl ester is C12H16OS and its molar mass is 208.33 g/mol.

What is Hexanethioic acid, S-phenyl ester used for?

Known uses and roles of Hexanethioic acid, S-phenyl ester include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Hexanethioic acid, S-phenyl ester hazardous?

No GHS hazard classification for Hexanethioic acid, S-phenyl ester 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 Hexanethioic acid, S-phenyl ester?

Hexanethioic acid, S-phenyl ester 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 Hexanethioic acid, S-phenyl ester?

Post a free request on CompoundList and suppliers of Hexanethioic acid, S-phenyl ester will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Hexanethioic acid, S-phenyl ester?

Suppliers quote Hexanethioic acid, S-phenyl ester 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 Hexanethioic acid, S-phenyl ester

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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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