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Heterocyclic building blocks

3-Methylthiomorpholine

CAS 76176-82-4Formula C5H11NSMolar mass 117.22 g/molEC 873-022-9
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant
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3-Methylthiomorpholine chemical structure, C5H11NS, CAS 76176-82-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76176-82-4
Formula
C5H11NS
Molar mass
117.22 g/mol
EC number
873-022-9
HS code
293499
Category
Heterocyclic building blocks

What is 3-Methylthiomorpholine?

Plain description, key identifiers and synonyms

3-Methylthiomorpholine is a chemical substance with the molecular formula C5H11NS and a molar mass of 117.22 g/mol. Its CAS registry number is 76176-82-4.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methylthiomorpholine
CAS number
76176-82-4
EC number
873-022-9
Molecular formula
C5H11NS
MDL number
MFCD11137728
InChIKey
KZZPRWYOUNLBQK-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NS/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3
SMILES (canonical and isomeric)
CC1CSCCN1

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
117.22 g/molcalc.
Exact mass
117.0612 Dacalc.
LogP (octanol/water)
0.71calc.
Topological polar surface area
12.03 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
7calc.
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, C1CSCCN1

C1CSCCN1

1 ring, 6 atoms, the Thiomorpholine ring system.

604 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H314Causes severe skin burns and eye damage.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P363Wash contaminated clothing before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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-Methylthiomorpholine suppliers

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

Frequently asked questions

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

What is 3-Methylthiomorpholine?

3-Methylthiomorpholine is a chemical substance with the molecular formula C5H11NS and a molar mass of 117.22 g/mol. Its CAS registry number is 76176-82-4.

What is the CAS number of 3-Methylthiomorpholine?

The CAS registry number of 3-Methylthiomorpholine is 76176-82-4.

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

The molecular formula of 3-Methylthiomorpholine is C5H11NS and its molar mass is 117.22 g/mol.

What is 3-Methylthiomorpholine used for?

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

Is 3-Methylthiomorpholine hazardous?

3-Methylthiomorpholine carries the GHS signal word "Danger". Main hazards: causes severe skin burns and eye damage, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 3-Methylthiomorpholine?

3-Methylthiomorpholine 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-Methylthiomorpholine?

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What is the price of 3-Methylthiomorpholine?

Suppliers quote 3-Methylthiomorpholine 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-Methylthiomorpholine

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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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