Carbonodithioic acid, O,S-dimethyl ester
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Basic information
- CAS
19708-81-7- Standard SMILES
COC(=S)SC- InChIKey
LABVNFAVENLDHB-UHFFFAOYSA-N- Molecular formula
- C3H6OS2
- Average molar mass
- 122.21 g/mol
- Monoisotopic mass
- 121.98600716
Names & identifiers
- Preferred name
- Carbonodithioic acid, O,S-dimethyl ester
- IUPAC
- O-methyl methylsulfanylmethanethioate
- English name
- Methoxydithioformic acid methyl ester
- Molecular formula
- C3H6OS2
- Molecular weight
- 122.21
Names & synonyms
19708-81-7O,S-dimethyl carbonodithioateCarbonodithioic acid, O,S-dimethyl esterDimethyl xanthateMethyl O-methylxanthateCarbonic acid, dithio-, O,S-dimethyl esterMethyl S-methyl xanthateDTXSID90173373O-Methyl S-methyl dithiocarbonateEC 606-356-9RefChem:333525DTXCID7095864
Show more names
Dithiocarbonic acid O,S-dimethyl esterCarbonodithioic acid O,S-dimethyl esterDithiocarbonic acid O-methyl S-methyl ester
606-356-9LABVNFAVENLDHB-UHFFFAOYSA-NMETHOXY(METHYLSULFANYL)METHANETHIONEO-methyl methylsulfanylmethanethioateAU9AYK8TGMMethoxydithioformic acid methyl esterO,S-Dimethyl dithiocarbonatedimethyl-xanthate
Database identifiers
- CAS
19708-81-7- PubChem CID
- 140571
- DTXSID
DTXSID90173373- UNII
- AU9AYK8TGM
- EC Number
- 606-356-9
- Nikkaji
- J112.609A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 52.8
Physicochemical properties
- Boiling point
- 168 °C · 168 °C
- Density
- 1.1765 g/cm3 · 1.1765 g/cm3
- FDA UNII
- 9 AYK8TGM · AU9AYK8TGM
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H226
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: O,S-dimethyl carbonodithioate (EC: 606-356-9)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H302+H312+H332-H226
- REACH Registrations
- Active
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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