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Screening compounds

Bisulepine

Also known as Bisulepin, (Z)-, Dithiaden, (Z)-, cis-4-(3-(Dimethylamino)propylidene)-4,9-dihydrobenzo(E)thieno(2,3-b)thiepin

CAS 42504-84-7Formula C17H19NS2Molar mass 301.48 g/mol
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Bisulepine chemical structure, C17H19NS2, CAS 42504-84-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
42504-84-7
Formula
C17H19NS2
Molar mass
301.48 g/mol
HS code
293499
Category
Screening compounds

What is Bisulepine?

Plain description, key identifiers and synonyms

Cis-bisulepin is the (Z)-isomer of dithiadene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
CAS number
42504-84-7
Molecular formula
C17H19NS2
UNII
2J9S539DHX
InChIKey
ZLJLUTCIUOCIQM-NVNXTCNLSA-N
InChI
InChI=1S/C17H19NS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17/h3-4,6-9,11H,5,10,12H2,1-2H3/b15-8-
Canonical SMILES
CN(C)CCC=C1c2ccccc2CSc2sccc21
Isomeric SMILES
CN(C)CC/C=C/1\C2=C(SCC3=CC=CC=C31)SC=C2

Synonyms

  • Bisulepin, (Z)-
  • Dithiaden, (Z)-
  • cis-4-(3-(Dimethylamino)propylidene)-4,9-dihydrobenzo(E)thieno(2,3-b)thiepin
  • 1-Propanamine, N,N-dimethyl-3-thieno(2,3-C)(2)benzothiepin-4(9H)-ylidene-, (Z)-
  • cis-bisulepin
  • (Z)-bisulepin
  • (Z)-dithiaden
  • (3Z)-N,N-dimethyl-3-(thieno[2,3-c][2]benzothiepin-4(9H)-ylidene)propan-1-amine
  • (Z)-N,N-dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidene-1-propanamine

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
301.48 g/molcalc.
Exact mass
301.0959 Dacalc.
LogP (octanol/water)
4.74calc.
Topological polar surface area
3.24 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
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, C=C1c2ccccc2CSc2sccc21

C=C1c2ccccc2CSc2sccc21

3 rings, 15 atoms.

11 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.

Bisulepine suppliers

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

Frequently asked questions

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

What is Bisulepine?

Cis-bisulepin is the (Z)-isomer of dithiadene.

What is the CAS number of Bisulepine?

The CAS registry number of Bisulepine is 42504-84-7.

What is the molecular formula and weight of Bisulepine?

The molecular formula of Bisulepine is C17H19NS2 and its molar mass is 301.48 g/mol.

What is Bisulepine used for?

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

Is Bisulepine hazardous?

No GHS hazard classification for Bisulepine 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 Bisulepine?

Bisulepine 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 Bisulepine?

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

What is the price of Bisulepine?

Suppliers quote Bisulepine 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 Bisulepine

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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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