CAS 68494-08-6 4,5-Bis(benzoylthio)-1,3-dithiole-2-thione

NAVIGATION

4,5-Bis(benzoylthio)-1,3-dithiole-2-thione

PRICE INQUIRY

Catalog Number

ACM68494086-1

CAS Number

68494-08-6

Product Name

4,5-Bis(benzoylthio)-1,3-dithiole-2-thione

Structure

Category

Charge Transfer Complexes; Ligands for Functional Metal Complexes; Molecular Conductors

IUPAC Name

S-(5-benzoylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl) benzenecarbothioate

Molecular Weight

406.57

Molecular Formula

C17H10O2S5

Canonical SMILES

C1=CC=C(C=C1)C(=O)SC2=C(SC(=S)S2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H10O2S5/c18-13(11-7-3-1-4-8-11)21-15-16(24-17(20)23-15)22-14(19)12-9-5-2-6-10-12/h1-10H

InChI Key

YQZPSSPUVUGQQS-UHFFFAOYSA-N

Melting Point

142 °C

Purity

>98.0%(T)(HPLC)

Appearance

Light yellow to Brown powder to crystal

Storage

Store under inert gas

Complexity

499

Covalently-Bonded Unit Count

Exact Mass

405.928435g/mol

Formal Charge

Hazard Statements

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

Heavy Atom Count

MDL Number

MFCD00059894

Monoisotopic Mass

405.928435g/mol

NSC Number

631302

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

Signal Word

Danger

UNII

PZ27129MNI

XLogP3

6.3

MSDS

Download MSDS

COA

Download COA

Spec Sheet