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Screening compounds

Ues7BS5jmk

Also known as (1R,2R,8ar)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl (2Z)-3-(methylthio)-2-propenoate, [(1R,2R,8Ar)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate, 2-Propenoic acid, 3-(methylthio)-, (1R,2R,8ar)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester, (2Z)-

CAS 38643-44-6Formula C19H26O3SMolar mass 334.48 g/mol
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Ues7BS5jmk chemical structure, C19H26O3S, CAS 38643-44-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
38643-44-6
Formula
C19H26O3S
Molar mass
334.48 g/mol
HS code
293090
Category
Screening compounds

What is Ues7BS5jmk?

Plain description, key identifiers and synonyms

[(1R,2R,8Ar)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate has been reported in Petasites hybridus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate
CAS number
38643-44-6
Molecular formula
C19H26O3S
UNII
UES7BS5JMK
InChIKey
YGBHBIXCSYCCOR-XAPFYCCESA-N
InChI
InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,17H,6-7,11H2,1-5H3/b9-8-/t13-,17+,19+/m0/s1
Canonical SMILES
CSC=CC(=O)OC1CCC2=CC(=O)C(=C(C)C)CC2(C)C1C
Isomeric SMILES
C[C@H]1[C@@H](CCC2=CC(=O)C(=C(C)C)C[C@]12C)OC(=O)/C=C\SC

Synonyms

  • (1R,2R,8ar)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl (2Z)-3-(methylthio)-2-propenoate
  • [(1R,2R,8Ar)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate
  • 2-Propenoic acid, 3-(methylthio)-, (1R,2R,8ar)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester, (2Z)-

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
334.48 g/molcalc.
Exact mass
334.1603 Dacalc.
LogP (octanol/water)
4.45calc.
Topological polar surface area
43.37 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
3calc.
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, C=C1CC2CCCCC2=CC1=O

C=C1CC2CCCCC2=CC1=O

2 rings, 12 atoms.

5 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.

Ues7BS5jmk suppliers

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Ues7BS5jmk price

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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 Ues7BS5jmk 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 Ues7BS5jmk is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ues7BS5jmk, based on the data on this page

What is Ues7BS5jmk?

[(1R,2R,8Ar)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate has been reported in Petasites hybridus.

What is the CAS number of Ues7BS5jmk?

The CAS registry number of Ues7BS5jmk is 38643-44-6.

What is the molecular formula and weight of Ues7BS5jmk?

The molecular formula of Ues7BS5jmk is C19H26O3S and its molar mass is 334.48 g/mol.

What is Ues7BS5jmk used for?

Known uses and roles of Ues7BS5jmk include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ues7BS5jmk hazardous?

No GHS hazard classification for Ues7BS5jmk 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 Ues7BS5jmk?

Ues7BS5jmk 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 Ues7BS5jmk?

Post a free request on CompoundList and suppliers of Ues7BS5jmk will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ues7BS5jmk?

Suppliers quote Ues7BS5jmk 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

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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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