4,5-Ethylenedithio-1,3-dithiol-2-one

Catalog Number

ACM74962291

Product Name

4,5-Ethylenedithio-1,3-dithiol-2-one

Structure

CAS

74962-29-1

Category

Heterocyclic Organic Compound

IUPAC Name

5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one

Molecular Weight

208.33

Molecular Formula

C5H4OS4

Canonical SMILES

C1CSC2=C(S1)SC(=O)S2

InChI

InChI=1S/C5H4OS4/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H2

InChI Key

NMNDMYIFMUGDMA-UHFFFAOYSA-N

Melting Point

129 °C

Appearance

Light yellow to Yellow to Green powder to crystal

Storage

Store under inert gas

Complexity

190

Condition To Avoid

Light Sensitive

Covalently-Bonded Unit Count

1

Exact Mass

207.914499g/mol

Formal Charge

0

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

5

H-Bond Donor

0

Heavy Atom Count

10

MDL Number

MFCD00137883

Monoisotopic Mass

207.914499g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Rotatable Bond Count

0

Signal Word

Danger

XLogP3

2.6

MSDS

COA

Spec Sheet