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Aromatic building blocks

Dasb

Also known as Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)-, Benzonitrile, 3-amino-4-[[2-[(dimethylamino)methyl]phenyl]thio]-, 3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzonitrile

CAS 627490-01-1Formula C16H17N3SMolar mass 283.40 g/mol
1 supplier listed
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Dasb chemical structure, C16H17N3S, CAS 627490-01-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
627490-01-1
Formula
C16H17N3S
Molar mass
283.40 g/mol
HS code
293090
Category
Aromatic building blocks

What is Dasb?

Plain description, key identifiers and synonyms

Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)- is an organic molecular entity.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzonitrile
CAS number
627490-01-1 CAS number cross-checked
Molecular formula
C16H17N3S
UNII
PP549Z0645
InChIKey
UVWLEPXXYOYDGR-UHFFFAOYSA-N
InChI
InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3
SMILES (canonical and isomeric)
CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)N

Synonyms

  • Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)-
  • Benzonitrile, 3-amino-4-[[2-[(dimethylamino)methyl]phenyl]thio]-
  • 3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzonitrile
  • 3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-benzonitrile
  • 3-amino-4-(2-dimethylaminomethylphenylsulfanyl)benzonitrile
  • 3-Amino-4-((2-((dimethylamino)methyl)phenyl)thio)benzonitrile
  • 3-amino-4-(2-dimethylaminomethylphenylsulfanyl)-benzonitrile
  • 3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulanylbenzonitrile
  • 3-Amino-4-((2-((dimethylamino)methyl)phenyl)thio)-benzonitrile

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
283.40 g/molcalc.
Exact mass
283.1143 Dacalc.
LogP (octanol/water)
3.35calc.
Topological polar surface area
53.05 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.19calc.
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(Sc2ccccc2)cc1

c1ccc(Sc2ccccc2)cc1

2 rings, 13 atoms, the Diphenyl sulfide ring system.

1,872 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.

Dasb suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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  • PharmaSynth AS
    Estonia, Tartu ManufacturerUnclaimed profile
    DasbGrade, purity and minimum order on request
    Price on request
    View

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Where suppliers are based

1 supplier in 1 country

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

Frequently asked questions

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

What is Dasb?

Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)- is an organic molecular entity.

What is the CAS number of Dasb?

The CAS registry number of Dasb is 627490-01-1.

What is the molecular formula and weight of Dasb?

The molecular formula of Dasb is C16H17N3S and its molar mass is 283.40 g/mol.

What is Dasb used for?

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

Is Dasb hazardous?

No GHS hazard classification for Dasb 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 Dasb?

Dasb 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 Dasb?

CompoundList lists 1 supplier of Dasb in Estonia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Dasb?

Suppliers quote Dasb 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 Dasb

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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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