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Aliphatic and alicyclic building blocks

2-Isothiocyanatoadamantane

Also known as 2-Adamantyl isothiocyanate, 2-adamantane isothiocyanate

CAS 65068-86-2Formula C11H15NSMolar mass 193.32 g/mol
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2-Isothiocyanatoadamantane chemical structure, C11H15NS, CAS 65068-86-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65068-86-2
Formula
C11H15NS
Molar mass
193.32 g/mol
HS code
293090
Category
Aliphatic and alicyclic building blocks

What is 2-Isothiocyanatoadamantane?

Plain description, key identifiers and synonyms

2-Isothiocyanatoadamantane is a chemical substance with the molecular formula C11H15NS and a molar mass of 193.32 g/mol. Its CAS registry number is 65068-86-2.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-isothiocyanatoadamantane
CAS number
65068-86-2
Molecular formula
C11H15NS
InChIKey
OVZVJRMIRGTHAP-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NS/c13-6-12-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-5H2
SMILES (canonical and isomeric)
C1C2CC3CC1CC(C2)C3N=C=S

Synonyms

  • 2-Adamantyl isothiocyanate
  • 2-adamantane isothiocyanate

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
193.32 g/molcalc.
Exact mass
193.0925 Dacalc.
LogP (octanol/water)
2.91calc.
Topological polar surface area
12.36 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
13calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
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, C1C2CC3CC1CC(C2)C3

C1C2CC3CC1CC(C2)C3

4 rings, 10 atoms, the Adamantane ring system.

2,136 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.

2-Isothiocyanatoadamantane suppliers

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2-Isothiocyanatoadamantane 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 2-Isothiocyanatoadamantane 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 2-Isothiocyanatoadamantane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Isothiocyanatoadamantane, based on the data on this page

What is 2-Isothiocyanatoadamantane?

2-Isothiocyanatoadamantane is a chemical substance with the molecular formula C11H15NS and a molar mass of 193.32 g/mol. Its CAS registry number is 65068-86-2.

What is the CAS number of 2-Isothiocyanatoadamantane?

The CAS registry number of 2-Isothiocyanatoadamantane is 65068-86-2.

What is the molecular formula and weight of 2-Isothiocyanatoadamantane?

The molecular formula of 2-Isothiocyanatoadamantane is C11H15NS and its molar mass is 193.32 g/mol.

What is 2-Isothiocyanatoadamantane used for?

Known uses and roles of 2-Isothiocyanatoadamantane include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2-Isothiocyanatoadamantane hazardous?

No GHS hazard classification for 2-Isothiocyanatoadamantane 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 2-Isothiocyanatoadamantane?

2-Isothiocyanatoadamantane 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 2-Isothiocyanatoadamantane?

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What is the price of 2-Isothiocyanatoadamantane?

Suppliers quote 2-Isothiocyanatoadamantane 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 2-Isothiocyanatoadamantane

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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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