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Screening compounds

Dihydroxythiobinupharidine

Also known as 6,6'-dihydroxythiobinupharidine, 6,6 inverted exclamation marka-Dihydroxythiobinupharidine, Neothiobinupharidine, 6,15-dihydroxy-, (6alpha,7S,13S,15beta)-

CAS 30343-70-5Formula C30H42N2O4SMolar mass 526.74 g/mol
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Dihydroxythiobinupharidine chemical structure, C30H42N2O4S, CAS 30343-70-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
30343-70-5
Formula
C30H42N2O4S
Molar mass
526.74 g/mol
HS code
293499
Category
Screening compounds

What is Dihydroxythiobinupharidine?

Plain description, key identifiers and synonyms

6,6'-Dihydroxythiobinupharidine has been reported in Nuphar pumila and Nuphar microphylla.

Identifiers

Registry numbers, names and line notations, tap to copy

CAS number
30343-70-5
Molecular formula
C30H42N2O4S
InChIKey
DYEOLAMWQVWASS-QMARKCQSSA-N
InChI
InChI=1S/C30H42N2O4S/c1-19-3-5-25(21-9-13-35-15-21)31-23(19)7-11-29(27(31)33)17-30(37-18-29)12-8-24-20(2)4-6-26(32(24)28(30)34)22-10-14-36-16-22/h9-10,13-16,19-20,23-28,33-34H,3-8,11-12,17-18H2,1-2H3/t19-,20-,23+,24+,25+,26+,27+,28-,29-,30+/m1/s1
Canonical SMILES
CC1CCC(c2ccoc2)N2C1CCC1(CSC3(CCC4C(C)CCC(c5ccoc5)N4C3O)C1)C2O
Isomeric SMILES
C[C@@H]1CC[C@H](N2[C@H]1CC[C@@]3([C@@H]2O)C[C@]4(CC[C@H]5[C@@H](CC[C@H](N5[C@@H]4O)C6=COC=C6)C)SC3)C7=COC=C7

Synonyms

  • 6,6'-dihydroxythiobinupharidine
  • 6,6 inverted exclamation marka-Dihydroxythiobinupharidine
  • Neothiobinupharidine, 6,15-dihydroxy-, (6alpha,7S,13S,15beta)-

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
526.74 g/molcalc.
Exact mass
526.2865 Dacalc.
LogP (octanol/water)
5.94calc.
Topological polar surface area
73.22 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
37calc.
Rings
7calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (2 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, c1cc(C2CCCC3CCC4(CSC5(CCC6CCCC(c7ccoc7)N6C5)C4)CN32)co1

c1cc(C2CCCC3CCC4(CSC5(CCC6CCCC(c7ccoc7)N6C5)C4)CN32)co1

7 rings, 33 atoms.

3 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.

Dihydroxythiobinupharidine suppliers

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

Frequently asked questions

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

What is Dihydroxythiobinupharidine?

6,6'-Dihydroxythiobinupharidine has been reported in Nuphar pumila and Nuphar microphylla.

What is the CAS number of Dihydroxythiobinupharidine?

The CAS registry number of Dihydroxythiobinupharidine is 30343-70-5.

What is the molecular formula and weight of Dihydroxythiobinupharidine?

The molecular formula of Dihydroxythiobinupharidine is C30H42N2O4S and its molar mass is 526.74 g/mol.

What is Dihydroxythiobinupharidine used for?

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

Is Dihydroxythiobinupharidine hazardous?

No GHS hazard classification for Dihydroxythiobinupharidine 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 Dihydroxythiobinupharidine?

Dihydroxythiobinupharidine 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 Dihydroxythiobinupharidine?

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

What is the price of Dihydroxythiobinupharidine?

Suppliers quote Dihydroxythiobinupharidine 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 Dihydroxythiobinupharidine

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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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