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

Catalog Number
ACM70800598
CAS Number
70800-59-8
Product Name
4,5-Methylenedithio-1,3-dithiole-2-thione
Structure
Category
Charge Transfer Complexes; Electronic Materials; Molecular Conductors
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
Purity
>98.0%(GC)
Appearance
Light yellow to Brown powder to crystal
Storage
Store under inert gas
Complexity
175
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.
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
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