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Heterocyclic building blocks

Hexanal-1,3-dithiane

Also known as 2-Pentyl-1,3-dithiane, 1,3-Dithiane, 2-pentyl-, 2-pentyl-[1,3]dithiane

CAS 21777-32-2Formula C9H18S2Molar mass 190.38 g/mol
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Hexanal-1,3-dithiane chemical structure, C9H18S2, CAS 21777-32-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
21777-32-2
Formula
C9H18S2
Molar mass
190.38 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Hexanal-1,3-dithiane?

Plain description, key identifiers and synonyms

Hexanal-1,3-dithiane is a chemical substance with the molecular formula C9H18S2 and a molar mass of 190.38 g/mol. Its CAS registry number is 21777-32-2. The IUPAC name is 2-pentyl-1,3-dithiane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-pentyl-1,3-dithiane
CAS number
21777-32-2 CAS number cross-checked
Molecular formula
C9H18S2
InChIKey
IEZIRVFWMLLTLQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H18S2/c1-2-3-4-6-9-10-7-5-8-11-9/h9H,2-8H2,1H3
SMILES (canonical and isomeric)
CCCCCC1SCCCS1

Synonyms

  • 2-Pentyl-1,3-dithiane
  • 1,3-Dithiane, 2-pentyl-
  • 2-pentyl-[1,3]dithiane
  • 2-Pentyl-1,3-dithiane #
  • 1,3-Dithiacyclohexane, 2-pentyl-

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
190.38 g/molcalc.
Exact mass
190.085 Dacalc.
LogP (octanol/water)
3.76calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
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, C1CSCSC1

C1CSCSC1

1 ring, 6 atoms, the 1,3-Dithiane ring system.

194 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.

Hexanal-1,3-dithiane suppliers

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Hexanal-1,3-dithiane 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 Hexanal-1,3-dithiane is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Hexanal-1,3-dithiane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexanal-1,3-dithiane, based on the data on this page

What is Hexanal-1,3-dithiane?

Hexanal-1,3-dithiane is a chemical substance with the molecular formula C9H18S2 and a molar mass of 190.38 g/mol. Its CAS registry number is 21777-32-2. The IUPAC name is 2-pentyl-1,3-dithiane.

What is the CAS number of Hexanal-1,3-dithiane?

The CAS registry number of Hexanal-1,3-dithiane is 21777-32-2.

What is the molecular formula and weight of Hexanal-1,3-dithiane?

The molecular formula of Hexanal-1,3-dithiane is C9H18S2 and its molar mass is 190.38 g/mol.

What is Hexanal-1,3-dithiane used for?

Known uses and roles of Hexanal-1,3-dithiane include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Hexanal-1,3-dithiane hazardous?

No GHS hazard classification for Hexanal-1,3-dithiane 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 Hexanal-1,3-dithiane?

Hexanal-1,3-dithiane is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hexanal-1,3-dithiane?

Post a free request on CompoundList and suppliers of Hexanal-1,3-dithiane will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Hexanal-1,3-dithiane?

Suppliers quote Hexanal-1,3-dithiane 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 Hexanal-1,3-dithiane

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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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