4,5-Methylenedithio-1,3-dithiole-2-thione

Catalog Number

ACM70800598

Product Name

4,5-Methylenedithio-1,3-dithiole-2-thione

Structure

CAS

70800-59-8

Category

Heterocyclic Organic Compound

IUPAC Name

[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione

Molecular Weight

210.36

Molecular Formula

C4H2S5

Canonical SMILES

C1SC2=C(S1)SC(=S)S2

InChI

InChI=1S/C4H2S5/c5-4-8-2-3(9-4)7-1-6-2/h1H2

InChI Key

NFKGILAHEQYFBG-UHFFFAOYSA-N

Melting Point

159 °C

Appearance

Light yellow to Brown powder to crystal

Storage

Store under inert gas

Complexity

175

Condition To Avoid

Light Sensitive

Covalently-Bonded Unit Count

1

Exact Mass

209.876006g/mol

Formal Charge

0

Hazard Statements

H302 : Harmful if swallowed.H314 : Causes severe skin burns and eye damage.

H-Bond Acceptor

5

H-Bond Donor

0

Heavy Atom Count

9

MDL Number

MFCD00137884

Monoisotopic Mass

209.876006g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dusts or mists.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P405 : Store locked up.

Rotatable Bond Count

0

Signal Word

Danger

XLogP3

3.3

MSDS

COA

Spec Sheet