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Screening compounds

Biotin-dde

Also known as 2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-hydroxypentylidene]-5,5-dimethylcyclohexane-1,3-dione

CAS 194038-08-9Formula C18H26N2O4SMolar mass 366.48 g/mol
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Biotin-dde chemical structure, C18H26N2O4S, CAS 194038-08-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
194038-08-9
Formula
C18H26N2O4S
Molar mass
366.48 g/mol
HS code
293499
Category
Screening compounds

What is Biotin-dde?

Plain description, key identifiers and synonyms

Biotin-dde is a chemical substance with the molecular formula C18H26N2O4S and a molar mass of 366.48 g/mol. Its CAS registry number is 194038-08-9. The IUPAC name is 2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-hydroxypentylidene]-5,5-dimethylcyclohexane-1,3-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-hydroxypentylidene]-5,5-dimethylcyclohexane-1,3-dione
CAS number
194038-08-9
Molecular formula
C18H26N2O4S
MDL number
MFCD10567141
InChIKey
JMXONQIABZZOLX-FSBGKCOPSA-N
InChI
InChI=1S/C18H26N2O4S/c1-18(2)7-12(22)15(13(23)8-18)11(21)5-3-4-6-14-16-10(9-25-14)19-17(24)20-16/h10,14,16,21H,3-9H2,1-2H3,(H2,19,20,24)/t10-,14-,16-/m0/s1
Canonical SMILES
CC1(C)CC(=O)C(=C(O)CCCCC2SCC3NC(=O)NC32)C(=O)C1
Isomeric SMILES
CC1(CC(=O)C(=C(CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)O)C(=O)C1)C

Synonyms

  • 2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-hydroxypentylidene]-5,5-dimethylcyclohexane-1,3-dione

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
366.48 g/molcalc.
Exact mass
366.1613 Dacalc.
LogP (octanol/water)
2.48calc.
Topological polar surface area
95.5 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.72calc.
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, O=C1NC2CSC(CCCCC=C3C(=O)CCCC3=O)C2N1

O=C1NC2CSC(CCCCC=C3C(=O)CCCC3=O)C2N1

3 rings, 22 atoms.

No other chemical in our database has 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.

Biotin-dde suppliers

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Biotin-dde 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 Biotin-dde is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Biotin-dde, based on the data on this page

What is Biotin-dde?

Biotin-dde is a chemical substance with the molecular formula C18H26N2O4S and a molar mass of 366.48 g/mol. Its CAS registry number is 194038-08-9. The IUPAC name is 2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-hydroxypentylidene]-5,5-dimethylcyclohexane-1,3-dione.

What is the CAS number of Biotin-dde?

The CAS registry number of Biotin-dde is 194038-08-9.

What is the molecular formula and weight of Biotin-dde?

The molecular formula of Biotin-dde is C18H26N2O4S and its molar mass is 366.48 g/mol.

What is Biotin-dde used for?

Known uses and roles of Biotin-dde include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Biotin-dde hazardous?

No GHS hazard classification for Biotin-dde 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 Biotin-dde?

Biotin-dde is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Biotin-dde?

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

What is the price of Biotin-dde?

Suppliers quote Biotin-dde 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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