Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate

Catalog Number

ACM7396410

Product Name

Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate

Structure

CAS

7396-41-0

Category

Heterocyclic Organic Compound

Synonyms

Dimethyl 2-Thioxo-1,3-dithiole-4,5-dicarboxylate
1,3-Dithiole-2-thione-4,5-dicarboxylic Acid Dimethyl Ester

IUPAC Name

dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate

Molecular Weight

250.30

Molecular Formula

C7H6O4S3

Canonical SMILES

COC(=O)C1=C(SC(=S)S1)C(=O)OC

InChI

InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3

InChI Key

UZKKFHMMXWDIPD-UHFFFAOYSA-N

Melting Point

88 °C

Appearance

Light yellow to Brown powder to crystal

Storage

Store under inert gas

Complexity

304

Condition To Avoid

Light Sensitive,Moisture Sensitive

Covalently-Bonded Unit Count

1

Exact Mass

249.942822g/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

7

H-Bond Donor

0

Heavy Atom Count

14

MDL Number

MFCD00142532

Monoisotopic Mass

249.942822g/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

4

Signal Word

Danger

XLogP3

2.1

MSDS

COA

Spec Sheet