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Heterocyclic building blocks

Isothiochroman

Also known as 3,4-Dihydro-1H-2-benzothiopyran, 3,4-Dihydro-1H-isothiochromene, Thioisochroman

CAS 4426-75-9Formula C9H10SMolar mass 150.25 g/mol
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Isothiochroman chemical structure, C9H10S, CAS 4426-75-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4426-75-9
Formula
C9H10S
Molar mass
150.25 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Isothiochroman?

Plain description, key identifiers and synonyms

Isothiochroman is a chemical substance with the molecular formula C9H10S and a molar mass of 150.25 g/mol. Its CAS registry number is 4426-75-9. The IUPAC name is 3,4-dihydro-1H-isothiochromene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,4-dihydro-1H-isothiochromene
CAS number
4426-75-9 CAS number cross-checked
Molecular formula
C9H10S
MDL number
MFCD18450357
InChIKey
ZZQUQFZVCJWSER-UHFFFAOYSA-N
InChI
InChI=1S/C9H10S/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2
SMILES (canonical and isomeric)
C1CSCC2=CC=CC=C21

Synonyms

  • 3,4-Dihydro-1H-2-benzothiopyran
  • 3,4-Dihydro-1H-isothiochromene
  • Thioisochroman
  • 1H-2-Benzothiopyran, 3,4-dihydro-
  • 3,4-Dihydro-1H-isothiochromene #

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
150.25 g/molcalc.
Exact mass
150.0503 Dacalc.
LogP (octanol/water)
2.48calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
10calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
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, c1ccc2c(c1)CCSC2

c1ccc2c(c1)CCSC2

2 rings, 10 atoms. This chemical is the scaffold itself.

44 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.

Isothiochroman suppliers

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

Frequently asked questions

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

What is Isothiochroman?

Isothiochroman is a chemical substance with the molecular formula C9H10S and a molar mass of 150.25 g/mol. Its CAS registry number is 4426-75-9. The IUPAC name is 3,4-dihydro-1H-isothiochromene.

What is the CAS number of Isothiochroman?

The CAS registry number of Isothiochroman is 4426-75-9.

What is the molecular formula and weight of Isothiochroman?

The molecular formula of Isothiochroman is C9H10S and its molar mass is 150.25 g/mol.

What is Isothiochroman used for?

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

Is Isothiochroman hazardous?

No GHS hazard classification for Isothiochroman 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 Isothiochroman?

Isothiochroman 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 Isothiochroman?

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

What is the price of Isothiochroman?

Suppliers quote Isothiochroman 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 Isothiochroman

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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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