Dimethyl trithiocarbonate
Basic information
- CAS
2314-48-9- Standard SMILES
CSC(=S)SC- InChIKey
IQWMXKTYXNMSLC-UHFFFAOYSA-N- Molecular formula
- C3H6S3
- Average molar mass
- 138.3 g/mol
- Monoisotopic mass
- 137.96316371
Names & identifiers
- Preferred name
- Dimethyl trithiocarbonate
- IUPAC
- bis(methylsulfanyl)methanethione
- English name
- Dimethyl trithiocarbonate
- Molecular formula
- C3H6S3
- Molecular weight
- 138.27
Names & synonyms
Dimethyl trithiocarbonate2314-48-9Carbonotrithioic acid, dimethyl esterTrithiocarbonic acid dimethyl esterCARBONIC ACID, TRITHIO-, DIMETHYL ESTERDimethylester kyseliny trithiouhliciteBRN 1421113Dimethylester kyseliny trithiouhlicite [Czech]4-03-00-00428 (Beilstein Handbook Reference)(CH3S)2CSDTXSID90177710Carbonotrithioic acid, dimethyl ester (9CI)
Show more names
Dimethyl thiocarbonatebis(methylthio)methanethioneDiMethyl trithiocarbonate 98%trithio-carbonicacidimethylesterDIMETHYL TRITHIOCARBONATE [095H]carbonotrithioicacid,dimethylester
RefChem:134282DTXCID50100201InChI=1/C3H6S3/c1-5-3(4)6-2/h1-2HIQWMXKTYXNMSLC-UHFFFAOYSA-Ndimethyl carbonotrithioatebis(methylsulfanyl)methanethioneDimethyltrithiocarbonatestarbld0016586
Database identifiers
- CAS
2314-48-9- PubChem CID
- 16840
- DTXSID
DTXSID90177710- Nikkaji
- J48.457A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 44
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- -3 °C · -3 °C (lit.)
- Boiling point
- 101 · 101-102 °C/12 mmHg (lit.)
- Density
- 1.254 g/mL · 1.254 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.675(lit.)
- Flash point
- 207 °F · 207 °F
- form
- liquid
- InChI
- InChI=1S/C3H6S3/c1-5-3(4)6-2/h1-2H3
- InChIKey
- IQWMXKTYXNMSLC-UHFFFAOYSA-N
- SMILES
- C(=S)(SC)SC
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335-H227-H410
- Precautionary statements
- 210 · P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501-P273
- PPE
- Eyeshields, Gloves
- RIDADR
- 3334 · UN 3334
- WGK Germany
- 3 · 3
- RTECS
- 2975000 · FG2975000
- Storage Class
- 10 · 10 - Combustible liquids
- Toxicity
- 500 mg/kg · rat,LDLo,oral,500mg/kg (500mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 44, 1953.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- rtecs
- FG2975000
- ridadr
- UN 3334
- Toxicity
- rat,LDLo,oral,500mg/kg (500mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 44, 1953.
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H318-H335-H227-H410
- Precautionary statements
- P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501-P273
Chemistry & industry
Applications
UsesDimethyl trithiocarbonate may be used in the following studies:Preparation of methyl-β,β′-dicarbonyldithiocarboxylate derivatives. Generation of tris(organothiyl)methyl radicals and these radicals were evaluated using EPR spectroscopy. Preparation of β-oxodithiocarboxylates.
Upstream & downstream products
Downstream products
Related reactions
12 records
Compound notes
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