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Sulfur and phosphorus compounds

1-Thiocyanohexane

Also known as hexyl thiocyanate, Thiocyanic acid, hexyl ester, 1-Hexyl thiocyanate

CAS 6803-40-3Formula C7H13NSMolar mass 143.26 g/molEC 108-424-9
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant
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1-Thiocyanohexane chemical structure, C7H13NS, CAS 6803-40-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6803-40-3
Formula
C7H13NS
Molar mass
143.26 g/mol
EC number
108-424-9
HS code
293090
Category
Sulfur and phosphorus compounds

What is 1-Thiocyanohexane?

Plain description, key identifiers and synonyms

1-Thiocyanohexane is a chemical substance with the molecular formula C7H13NS and a molar mass of 143.26 g/mol. Its CAS registry number is 6803-40-3. The IUPAC name is hexyl thiocyanate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexyl thiocyanate
CAS number
6803-40-3 CAS number cross-checked
EC number
108-424-9
Molecular formula
C7H13NS
UNII
SCX6IA45CK
InChIKey
BESHFZBHEPQOSU-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NS/c1-2-3-4-5-6-9-7-8/h2-6H2,1H3
SMILES (canonical and isomeric)
CCCCCCSC#N

Synonyms

  • hexyl thiocyanate
  • Thiocyanic acid, hexyl ester
  • 1-Hexyl thiocyanate
  • Hexylrhodanid
  • Thiocyanic acid hexyl ester
  • (hexylsulfanyl)carbonitrile
  • hexylthiocyanate
  • Hexylthiocyanat
  • 1-thiocyanatohexane
  • n-hexyl thiocyanate

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
143.26 g/molcalc.
Exact mass
143.0769 Dacalc.
LogP (octanol/water)
2.78calc.
Topological polar surface area
23.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
5calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H318Causes serious eye damage.
Precautionary statements (9)
  • 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.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P330Rinse mouth.
  • 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

1-Thiocyanohexane suppliers

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1-Thiocyanohexane 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 1-Thiocyanohexane 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 1-Thiocyanohexane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1-Thiocyanohexane, based on the data on this page

What is 1-Thiocyanohexane?

1-Thiocyanohexane is a chemical substance with the molecular formula C7H13NS and a molar mass of 143.26 g/mol. Its CAS registry number is 6803-40-3. The IUPAC name is hexyl thiocyanate.

What is the CAS number of 1-Thiocyanohexane?

The CAS registry number of 1-Thiocyanohexane is 6803-40-3.

What is the molecular formula and weight of 1-Thiocyanohexane?

The molecular formula of 1-Thiocyanohexane is C7H13NS and its molar mass is 143.26 g/mol.

What is 1-Thiocyanohexane used for?

Known uses and roles of 1-Thiocyanohexane include building blocks in research and laboratory.

Is 1-Thiocyanohexane hazardous?

1-Thiocyanohexane carries the GHS signal word "Danger". Main hazards: harmful if swallowed, causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1-Thiocyanohexane?

1-Thiocyanohexane 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 1-Thiocyanohexane?

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

What is the price of 1-Thiocyanohexane?

Suppliers quote 1-Thiocyanohexane 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 1-Thiocyanohexane

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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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