4,5-Bis(methylthio)-1,3-dithiol-2-one

Catalog Number

ACM61485469

Product Name

4,5-Bis(methylthio)-1,3-dithiol-2-one

Structure

CAS

61485-46-9

Category

Heterocyclic Organic Compound

IUPAC Name

4,5-bis(methylsulfanyl)-1,3-dithiol-2-one

Molecular Weight

210.34

Molecular Formula

C5H6OS4

Canonical SMILES

CSC1=C(SC(=O)S1)SC

InChI

InChI=1S/C5H6OS4/c1-7-3-4(8-2)10-5(6)9-3/h1-2H3

InChI Key

ZXNVEXYJVODARP-UHFFFAOYSA-N

Melting Point

60 °C

Appearance

Light orange to Yellow to Green powder to crystal

Storage

Store under inert gas

Complexity

168

Condition To Avoid

Light Sensitive

Covalently-Bonded Unit Count

1

Exact Mass

209.93015g/mol

Formal Charge

0

Hazard Statements

H302 : Harmful if swallowed.H315 : Causes skin irritation.H318 : Causes serious eye damage.

H-Bond Acceptor

5

H-Bond Donor

0

Heavy Atom Count

10

MDL Number

MFCD00137889

Monoisotopic Mass

209.93015g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.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.

Rotatable Bond Count

2

Signal Word

Danger

XLogP3

2.8

MSDS

COA

Spec Sheet