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Heterocyclic building blocks

Amphethinile

Also known as 2-Amino-3-cyano-5-(phenylthio)indole, 1H-Indole-3-carbonitrile, 2-amino-5-(phenylthio)-, ICI 134154

CAS 91531-98-5Formula C15H11N3SMolar mass 265.34 g/mol
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Amphethinile chemical structure, C15H11N3S, CAS 91531-98-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
91531-98-5
Formula
C15H11N3S
Molar mass
265.34 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Amphethinile?

Plain description, key identifiers and synonyms

Amphethinile is a chemical substance with the molecular formula C15H11N3S and a molar mass of 265.34 g/mol. Its CAS registry number is 91531-98-5. The IUPAC name is 2-amino-5-phenylsulfanyl-1H-indole-3-carbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-5-phenylsulfanyl-1H-indole-3-carbonitrile
CAS number
91531-98-5 CAS number cross-checked
Molecular formula
C15H11N3S
UNII
RC773C3LTD
InChIKey
LHNIUFUSFGYJEO-UHFFFAOYSA-N
InChI
InChI=1S/C15H11N3S/c16-9-13-12-8-11(6-7-14(12)18-15(13)17)19-10-4-2-1-3-5-10/h1-8,18H,17H2
SMILES (canonical and isomeric)
C1=CC=C(C=C1)SC2=CC3=C(C=C2)NC(=C3C#N)N

Synonyms

  • 2-Amino-3-cyano-5-(phenylthio)indole
  • 1H-Indole-3-carbonitrile, 2-amino-5-(phenylthio)-
  • ICI 134154
  • 2-amino-5-phenylsulfanyl-1H-indole-3-carbonitrile
  • Amphetinile, CRC 82-07
  • 2-Amino-5-(phenylthio)-1H-indole-3-carbonitrile
  • Amphetinile
  • Ici 134,154
  • 2-Amino-5-(phenylsulfanyl)-1H-indole-3-carbonitrile
  • CRC 82-07
  • 2-azanyl-5-phenylsulfanyl-1H-indole-3-carbonitrile
  • 5-phenylsulphanyl-2-amino-1H-indole-3-carbonitrile

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
265.34 g/molcalc.
Exact mass
265.0674 Dacalc.
LogP (octanol/water)
3.77calc.
Topological polar surface area
65.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0calc.
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, c1ccc(Sc2ccc3[nH]ccc3c2)cc1

c1ccc(Sc2ccc3[nH]ccc3c2)cc1

3 rings, 16 atoms, the 5-(Phenylsulfanyl)-1H-indole ring system.

1 other chemical 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.

Amphethinile suppliers

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Amphethinile 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 Amphethinile is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Amphethinile is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Amphethinile, based on the data on this page

What is Amphethinile?

Amphethinile is a chemical substance with the molecular formula C15H11N3S and a molar mass of 265.34 g/mol. Its CAS registry number is 91531-98-5. The IUPAC name is 2-amino-5-phenylsulfanyl-1H-indole-3-carbonitrile.

What is the CAS number of Amphethinile?

The CAS registry number of Amphethinile is 91531-98-5.

What is the molecular formula and weight of Amphethinile?

The molecular formula of Amphethinile is C15H11N3S and its molar mass is 265.34 g/mol.

What is Amphethinile used for?

Known uses and roles of Amphethinile include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Amphethinile hazardous?

No GHS hazard classification for Amphethinile 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 Amphethinile?

Amphethinile is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Amphethinile?

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

What is the price of Amphethinile?

Suppliers quote Amphethinile 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 Amphethinile

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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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