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Heterocyclic building blocks

3-Bromothiolane

Also known as 3-bromotetrahydrothiophene, C4H7BrS

CAS 39013-66-6Formula C4H7BrSMolar mass 167.07 g/molEC 828-896-6
GHS signal word: Danger. Pictograms: Flammable, Harmful or irritant, Serious health hazard
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3-Bromothiolane chemical structure, C4H7BrS, CAS 39013-66-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
39013-66-6
Formula
C4H7BrS
Molar mass
167.07 g/mol
Physical form
Liquid
HS code
293499
Category
Heterocyclic building blocks
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is 3-Bromothiolane?

Plain description, key identifiers and synonyms

3-Bromothiolane is a chemical substance with the molecular formula C4H7BrS and a molar mass of 167.07 g/mol. Its CAS registry number is 39013-66-6.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-bromothiolane
CAS number
39013-66-6
EC number
828-896-6
Molecular formula
C4H7BrS
MDL number
MFCD15203870
InChIKey
OZEPBWJYTRMPSY-UHFFFAOYSA-N
InChI
InChI=1S/C4H7BrS/c5-4-1-2-6-3-4/h4H,1-3H2
SMILES (canonical and isomeric)
C1CSCC1Br

Synonyms

  • 3-bromotetrahydrothiophene
  • C4H7BrS

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

Physical form
Liquidexp.

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
167.07 g/molcalc.
Exact mass
165.9452 Dacalc.
LogP (octanol/water)
1.89calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
6calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
1calc.
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, C1CCSC1

C1CCSC1

1 ring, 5 atoms, the Tetrahydrothiophene ring system.

1,470 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H226Flammable liquid and vapour.
  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
  • H335May cause respiratory irritation.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (34)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403Store in a well-ventilated place.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

3-Bromothiolane suppliers

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3-Bromothiolane 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 3-Bromothiolane 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 3-Bromothiolane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Bromothiolane, based on the data on this page

What is 3-Bromothiolane?

3-Bromothiolane is a chemical substance with the molecular formula C4H7BrS and a molar mass of 167.07 g/mol. Its CAS registry number is 39013-66-6.

What is the CAS number of 3-Bromothiolane?

The CAS registry number of 3-Bromothiolane is 39013-66-6.

What is the molecular formula and weight of 3-Bromothiolane?

The molecular formula of 3-Bromothiolane is C4H7BrS and its molar mass is 167.07 g/mol.

What is 3-Bromothiolane used for?

Known uses and roles of 3-Bromothiolane include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3-Bromothiolane hazardous?

3-Bromothiolane carries the GHS signal word "Danger". Main hazards: flammable liquid and vapour, harmful if swallowed, harmful in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 3-Bromothiolane?

3-Bromothiolane 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 3-Bromothiolane?

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What is the price of 3-Bromothiolane?

Suppliers quote 3-Bromothiolane 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 3-Bromothiolane

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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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